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. 40473-01-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 40473-01-6
Chemical Structure| 40473-01-6
Structure of 40473-01-6 * 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 [ 40473-01-6 ]

Related Doc. of [ 40473-01-6 ]

Alternatived Products of [ 40473-01-6 ]
Product Citations

Product Details of [ 40473-01-6 ]

CAS No. :40473-01-6 MDL No. :MFCD00234006
Formula : C5H3BrClN Boiling Point : -
Linear Structure Formula :- InChI Key :BZUUVQCSPHPUQA-UHFFFAOYSA-N
M.W : 192.44 Pubchem ID :817098
Synonyms :

Calculated chemistry of [ 40473-01-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.95
TPSA : 12.89 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.92
Log Po/w (XLOGP3) : 2.46
Log Po/w (WLOGP) : 2.5
Log Po/w (MLOGP) : 1.85
Log Po/w (SILICOS-IT) : 2.76
Consensus Log Po/w : 2.3

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.14
Solubility : 0.14 mg/ml ; 0.000728 mol/l
Class : Soluble
Log S (Ali) : -2.37
Solubility : 0.812 mg/ml ; 0.00422 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.5
Solubility : 0.0614 mg/ml ; 0.000319 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.78

Safety of [ 40473-01-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 40473-01-6 ]

* 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.

  • Upstream synthesis route of [ 40473-01-6 ]
  • Downstream synthetic route of [ 40473-01-6 ]

[ 40473-01-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 40473-01-6 ]
  • [ 652148-91-9 ]
Reference: [1] Tetrahedron, 2003, vol. 59, # 50, p. 10043 - 10049
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 40473-01-6 ]

Bromides

Chemical Structure| 65550-77-8

[ 65550-77-8 ]

2-Bromo-5-chloro-3-methylpyridine

Similarity: 0.88

Chemical Structure| 1033203-42-7

[ 1033203-42-7 ]

2-Bromo-4,5-dichloropyridine

Similarity: 0.86

Chemical Structure| 22918-01-0

[ 22918-01-0 ]

2-Bromo-4-chloropyridine

Similarity: 0.81

Chemical Structure| 90902-83-3

[ 90902-83-3 ]

3-Amino-2-bromo-5-chloropyridine

Similarity: 0.81

Chemical Structure| 14482-51-0

[ 14482-51-0 ]

2-Bromo-3,5-dichloropyridine

Similarity: 0.81

Chlorides

Chemical Structure| 65550-77-8

[ 65550-77-8 ]

2-Bromo-5-chloro-3-methylpyridine

Similarity: 0.88

Chemical Structure| 1033203-42-7

[ 1033203-42-7 ]

2-Bromo-4,5-dichloropyridine

Similarity: 0.86

Chemical Structure| 22918-01-0

[ 22918-01-0 ]

2-Bromo-4-chloropyridine

Similarity: 0.81

Chemical Structure| 90902-83-3

[ 90902-83-3 ]

3-Amino-2-bromo-5-chloropyridine

Similarity: 0.81

Chemical Structure| 14482-51-0

[ 14482-51-0 ]

2-Bromo-3,5-dichloropyridine

Similarity: 0.81

Related Parent Nucleus of
[ 40473-01-6 ]

Pyridines

Chemical Structure| 65550-77-8

[ 65550-77-8 ]

2-Bromo-5-chloro-3-methylpyridine

Similarity: 0.88

Chemical Structure| 1033203-42-7

[ 1033203-42-7 ]

2-Bromo-4,5-dichloropyridine

Similarity: 0.86

Chemical Structure| 22918-01-0

[ 22918-01-0 ]

2-Bromo-4-chloropyridine

Similarity: 0.81

Chemical Structure| 90902-83-3

[ 90902-83-3 ]

3-Amino-2-bromo-5-chloropyridine

Similarity: 0.81

Chemical Structure| 14482-51-0

[ 14482-51-0 ]

2-Bromo-3,5-dichloropyridine

Similarity: 0.81

; ;