![CAS 91-35-0 2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/91-35-0.gif)
CAS RN: 91-35-0
2-[[(3-Amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS91-35-0
- Purity/Analytical Methods: >99.0%
91-35-0 / 2-[(3-amino-4-hydroxyphenyl)sulfonylamino]benzoic acid
Basic Information
CAS
91-35-0
Multi CAS
Yes
Molecular Formula
C13H12N2O5S
Molecular Weight
308.310000
Exact Mass
308.046693
InChI
InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)
InChIKey
ISDVREGLMJJFJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
76.73
TPSA
129.72
LogP / Solubility
WLOGP
1.47
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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