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. 161796-10-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 161796-10-7
Chemical Structure| 161796-10-7
Structure of 161796-10-7 * 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 [ 161796-10-7 ]

Related Doc. of [ 161796-10-7 ]

Alternatived Products of [ 161796-10-7 ]
Product Citations

Product Details of [ 161796-10-7 ]

CAS No. :161796-10-7 MDL No. :MFCD06797598
Formula : C9H7BrO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QIXJVAGZPJKDGY-UHFFFAOYSA-N
M.W : 259.05 Pubchem ID :22593641
Synonyms :

Calculated chemistry of [ 161796-10-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.11
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.38
TPSA : 63.6 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 2.52
Log Po/w (WLOGP) : 1.93
Log Po/w (MLOGP) : 2.23
Log Po/w (SILICOS-IT) : 1.8
Consensus Log Po/w : 2.08

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.15
Solubility : 0.182 mg/ml ; 0.000703 mol/l
Class : Soluble
Log S (Ali) : -3.5
Solubility : 0.0816 mg/ml ; 0.000315 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.7
Solubility : 0.513 mg/ml ; 0.00198 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.8

Safety of [ 161796-10-7 ]

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

Application In Synthesis of [ 161796-10-7 ]

* 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 [ 161796-10-7 ]
  • Downstream synthetic route of [ 161796-10-7 ]

[ 161796-10-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 161796-10-7 ]
  • [ 453566-14-8 ]
Reference: [1] Patent: WO2013/37705, 2013, A2,
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 161796-10-7 ]

Aryls

Chemical Structure| 478375-40-5

[ 478375-40-5 ]

Methyl 3-bromo-5-methylbenzoate

Similarity: 1.00

Chemical Structure| 1016163-89-5

[ 1016163-89-5 ]

Methyl 5-bromo-2-formylbenzoate

Similarity: 1.00

Chemical Structure| 51760-21-5

[ 51760-21-5 ]

Dimethyl 5-bromoisophthalate

Similarity: 1.00

Chemical Structure| 307353-32-8

[ 307353-32-8 ]

Methyl 3-bromo-5-(hydroxymethyl)benzoate

Similarity: 1.00

Chemical Structure| 618-89-3

[ 618-89-3 ]

Methyl 3-bromobenzoate

Similarity: 1.00

Bromides

Chemical Structure| 478375-40-5

[ 478375-40-5 ]

Methyl 3-bromo-5-methylbenzoate

Similarity: 1.00

Chemical Structure| 1016163-89-5

[ 1016163-89-5 ]

Methyl 5-bromo-2-formylbenzoate

Similarity: 1.00

Chemical Structure| 51760-21-5

[ 51760-21-5 ]

Dimethyl 5-bromoisophthalate

Similarity: 1.00

Chemical Structure| 307353-32-8

[ 307353-32-8 ]

Methyl 3-bromo-5-(hydroxymethyl)benzoate

Similarity: 1.00

Chemical Structure| 618-89-3

[ 618-89-3 ]

Methyl 3-bromobenzoate

Similarity: 1.00

Esters

Chemical Structure| 478375-40-5

[ 478375-40-5 ]

Methyl 3-bromo-5-methylbenzoate

Similarity: 1.00

Chemical Structure| 1016163-89-5

[ 1016163-89-5 ]

Methyl 5-bromo-2-formylbenzoate

Similarity: 1.00

Chemical Structure| 51760-21-5

[ 51760-21-5 ]

Dimethyl 5-bromoisophthalate

Similarity: 1.00

Chemical Structure| 307353-32-8

[ 307353-32-8 ]

Methyl 3-bromo-5-(hydroxymethyl)benzoate

Similarity: 1.00

Chemical Structure| 618-89-3

[ 618-89-3 ]

Methyl 3-bromobenzoate

Similarity: 1.00

Carboxylic Acids

Chemical Structure| 58530-13-5

[ 58530-13-5 ]

3-Bromo-5-methylbenzoic acid

Similarity: 0.90

Chemical Structure| 618-58-6

[ 618-58-6 ]

3,5-Dibromobenzoic acid

Similarity: 0.90

Chemical Structure| 68837-59-2

[ 68837-59-2 ]

4-Bromo-2-methylbenzoic acid

Similarity: 0.90

Chemical Structure| 585-76-2

[ 585-76-2 ]

3-Bromobenzoic acid

Similarity: 0.90

Chemical Structure| 6968-28-1

[ 6968-28-1 ]

4-Bromophthalic acid

Similarity: 0.90

; ;