天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 39150-45-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 39150-45-3
Chemical Structure| 39150-45-3
Structure of 39150-45-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 39150-45-3 ]

Related Doc. of [ 39150-45-3 ]

Alternatived Products of [ 39150-45-3 ]
Product Citations

Product Details of [ 39150-45-3 ]

CAS No. :39150-45-3 MDL No. :MFCD00014783
Formula : C6H6Br2N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :DLXJPWSYRLLYSV-UHFFFAOYSA-N
M.W : 330.00 Pubchem ID :3084733
Synonyms :

Calculated chemistry of [ 39150-45-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 57.24
TPSA : 94.56 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.39
Log Po/w (XLOGP3) : 1.19
Log Po/w (WLOGP) : 2.53
Log Po/w (MLOGP) : 1.24
Log Po/w (SILICOS-IT) : 0.7
Consensus Log Po/w : 1.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.91
Solubility : 0.405 mg/ml ; 0.00123 mol/l
Class : Soluble
Log S (Ali) : -2.77
Solubility : 0.558 mg/ml ; 0.00169 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.28
Solubility : 0.172 mg/ml ; 0.000522 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.06

Safety of [ 39150-45-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 39150-45-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 39150-45-3 ]

[ 39150-45-3 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 39150-45-3 ]
  • [ 608-30-0 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; In water; at 170℃; for 3.0h; To a mixture of 50.0 g sulfanilamide, 850 mL water and 200 mL 48% HBr solution, 90.0 g sodium perborate was added at 85 C. The mixture was stirred at 80-85 C for 30 min and then was cooled to room temperature and filtered. The residue was washed to be neutral by water. The solid was desulfonated by reacting with 70% sulfuric acid solution for 3 h under reflux. Crude product was obtained by steam distillation and further purified by recrystallization in ethanol. 1H NMR (500 MHz, CDCl3, delta in ppm): 7.35-7.40 (d, 2H, Ar-Hm), 6.5 (t, 1H, Ar-Hp).
  • 2
  • [ 39150-45-3 ]
  • 3,5,3',5'-tetrabromo-4,4'-azo-bis-benzenesulfonic acid diamide [ No CAS ]
  • 3
  • [ 53297-69-1 ]
  • [ 39150-45-3 ]
  • 4
  • (4-amino-3,5-dibromo-benzenesulfonyl)-urea [ No CAS ]
  • [ 39150-45-3 ]
  • 5
  • [ 39150-45-3 ]
  • [ 108-24-7 ]
  • [ 15018-96-9 ]
  • 6
  • [ 39150-45-3 ]
  • [ 108-24-7 ]
  • 4-acetylamino-3,5-dibromo-benzenesulfonic acid amide [ No CAS ]
  • 4-acetylamino-3,5-dibromo-benzenesulfonic acid acetylamide [ No CAS ]
  • 7
  • [ 39150-45-3 ]
  • [ 108-24-7 ]
  • 4-acetylamino-3,5-dibromo-benzenesulfonic acid acetylamide [ No CAS ]
  • 8
  • [ 39150-45-3 ]
  • [ 108-24-7 ]
  • 3,5-dibromo-4-diacetylamino-benzenesulfonic acid acetylamide [ No CAS ]
  • 9
  • [ 63-74-1 ]
  • [ 39150-45-3 ]
YieldReaction ConditionsOperation in experiment
62% With hydrogen bromide; dihydrogen peroxide; at 20℃; for 5.0h; Sulfanilamide (0.43g, 0.0025mol) was stirred in 15mL of 6N halogen acid (0.08mol) at room temperature, and 2mL of 30% hydrogen peroxide (0.02mol) was slowly added. After 5h, the product was filtered and recrystallized from ethanol. White solid. Yield: 62%. 1H NMR (DMSO-d6, 400MHz): delta 7.79 (s, 2H, ArH), 7.26 (s, 2H, SO2NH2), 6.11 (s, 2H, NH2). 13C NMR (DMSO-d6, 100MHz): delta 145.8, 132.7, 129.5, 106.1.
With sodium perborate; hydrogen bromide; at 80 - 90℃; To a mixture of 50.0 g sulfanilamide, 850 mL water and 200 mL 48% HBr solution, 90.0 g sodium perborate was added at 85 C. The mixture was stirred at 80-85 C for 30 min and then was cooled to room temperature and filtered. The residue was washed to be neutral by water. The solid was desulfonated by reacting with 70% sulfuric acid solution for 3 h under reflux. Crude product was obtained by steam distillation and further purified by recrystallization in ethanol. 1H NMR (500 MHz, CDCl3, delta in ppm): 7.35-7.40 (d, 2H, Ar-Hm), 6.5 (t, 1H, Ar-Hp).
  • 10
  • [ 7726-95-6 ]
  • [ 64-19-7 ]
  • [ 63-74-1 ]
  • [ 39150-45-3 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 39150-45-3 ]

Bromides

Chemical Structure| 703-12-8

[ 703-12-8 ]

4-Bromo-N-methylbenzenesulfonamide

Similarity: 0.69

Chemical Structure| 263349-73-1

[ 263349-73-1 ]

4-Bromo-3-fluorobenzenesulphonamide

Similarity: 0.65

Chemical Structure| 62606-00-2

[ 62606-00-2 ]

3-Bromo-5-(methylsulfonyl)aniline

Similarity: 0.64

Chemical Structure| 679794-03-7

[ 679794-03-7 ]

6-Bromo-1-(phenylsulfonyl)-1H-indole

Similarity: 0.63

Chemical Structure| 860515-97-5

[ 860515-97-5 ]

4-(4-Bromophenoxy)benzenesulfonamide

Similarity: 0.63

Amines

Chemical Structure| 98-18-0

[ 98-18-0 ]

3-Aminobenzenesulfonamide

Similarity: 0.73

Chemical Structure| 703-12-8

[ 703-12-8 ]

4-Bromo-N-methylbenzenesulfonamide

Similarity: 0.69

Chemical Structure| 53297-70-4

[ 53297-70-4 ]

4-Amino-3-methylbenzenesulfonamide

Similarity: 0.68

Chemical Structure| 131774-72-6

[ 131774-72-6 ]

3-Hydrazinylbenzenesulfonamide

Similarity: 0.68

Chemical Structure| 17852-52-7

[ 17852-52-7 ]

4-Hydrazinylbenzenesulfonamide hydrochloride

Similarity: 0.68

; ;