![CAS 735322-08-4 5-[BENZYL-(2-CHLORO-PHENYL)-SULFAMOYL]-2-CHLORO-BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0721112.gif)
CAS RN: 735322-08-4
5-[BENZYL-(2-CHLORO-PHENYL)-SULFAMOYL]-2-CHLORO-BENZOIC ACID
- Product code: SSC-182955
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
735322-08-4 / 5-[benzyl-(2-chlorophenyl)sulfamoyl]-2-chlorobenzoic acid
Basic Information
CAS
735322-08-4
Multi CAS
No
Molecular Formula
C20H15CL2NO4S
Molecular Weight
436.300000
Exact Mass
435.009885
InChI
InChI=1S/C20H15Cl2NO4S/c21-17-11-10-15(12-16(17)20(24)25)28(26,27)23(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)22/h1-12H,13H2,(H,24,25)
InChIKey
JADXAIGOQPLWFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
109.67
TPSA
74.68
LogP / Solubility
WLOGP
5.09
MLOGP
4.51
XLogP3
4.9
Consensus LogP
4.83
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-(4-ETHOXY-PHENOXY)-5-(MORPHOLINE-4-SULFONYL)-PHENYLAMINE
- CAS RN: 735322-12-0
- Product Code: SSC-182956
-
2-(2-CHLOROPHENYL)-2-(1H-INDOL-3-YL)ETHANAMINE
- CAS RN: 735322-70-0
- Product Code: starshine_CAS735322-70-0
- Purity/Analytical method: >99.0%
-
1-(2,4-DICHLORO-BENZYL)-3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
- CAS RN: 735335-54-3
- Product Code: SSC-182957
-
[3-[(3-FLUORO-PHENYLCARBAMOYL)-METHYL]-4-OXO-THIAZOLIDIN-2-YLIDENE]-ACETIC ACID ETHYL ESTER
- CAS RN: 735335-61-2
- Product Code: SSC-182959
-
PKC-theta inhibitor
- CAS RN: 736048-65-0
- Product Code: starshine_CAS736048-65-0
- Purity/Analytical method: >99.0%
-
METHYL 2-(2-CHLOROPHENYL)-2-METHYLPROPANOATE
- CAS RN: 736055-19-9
- Product Code: SSC-183025
![CAS 735335-54-3 1-(2,4-DICHLORO-BENZYL)-3-METHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2207450.gif)
![CAS 735335-61-2 [3-[(3-FLUORO-PHENYLCARBAMOYL)-METHYL]-4-OXO-THIAZOLIDIN-2-YLIDENE]-ACETIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0308351.gif)
