4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid
TL;DR: 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid (CAS 749906-99-8) is a chemical compound with molecular formula C13H10N4O5S and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-hydroxybenzotriazol-5-yl)sulfonylamino]benzoic acid
Also Known As: 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid, 4-[(3-hydroxybenzotriazol-5-yl)sulfonylamino]benzoic acid, 4-{[(1-hydroxy-1H-1,2,3-benzotriazol-6-yl)sulfonyl]amino}benzoic acid, 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoicacid, 4-(3-HYDROXY-1,2,3-BENZOTRIAZOLE-5-SULFONAMIDO)BENZOIC ACID
| Molecular Formula | C13H10N4O5S |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 1.1676 |
| Topological Polar Surface Area | 134.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0372 |
| Heavy Atoms | 23 |
| Complexity | 994.8817 |
Chemical Identifiers
| CAS Number | 749906-99-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)N=NN3O |
Product Overview
4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid (CAS 749906-99-8), with molecular formula C13H10N4O5S and molecular weight 334.04 g/mol. IUPAC: 4-[(3-hydroxybenzotriazol-5-yl)sulfonylamino]benzoic acid.
Chemical Property Profile of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid
Property Insights of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid
The XLogP value of 1.1676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid. The TPSA of 134.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid. Following Lipinski's Rule of Five, 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid?
The CAS number of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid is 749906-99-8.
What is the molecular formula of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid?
The molecular formula of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid is C13H10N4O5S.
What is the molecular weight of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid?
The molecular weight of 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid is 334.04 g/mol.
Where can I buy 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid?
You can request a quote for 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-hydroxy-1H-1,2,3-benzotriazole-6-sulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.