2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid
TL;DR: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (CAS 79213-79-9) is a chemical compound with molecular formula C9H9N3O5S and molecular weight 271.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid
Also Known As: BAS 06259181, 2-[(methoxycarbonyl)amino]-1H-benzimidazole-6-sulfonic acid, 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid, 2-Methoxycarbonylamino-1H-benzoimidazole-5-sulfonic acid, 2-[(methoxycarbonyl)amino]-1H-benzimidazole-5-sulfonic acid
| Molecular Formula | C9H9N3O5S |
|---|---|
| Molecular Weight | 271.03 g/mol |
| LogP | 0.9879 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0263 |
| Heavy Atoms | 18 |
| Complexity | 706.06146 |
Chemical Identifiers
| CAS Number | 79213-79-9 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O |
Product Overview
2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (CAS 79213-79-9), with molecular formula C9H9N3O5S and molecular weight 271.03 g/mol. IUPAC: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid.
Chemical Property Profile of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid
Property Insights of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid
The XLogP value of 0.9879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid. The TPSA of 121.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid. Following Lipinski's Rule of Five, 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid has 3 hydrogen bond donor(s) and 5 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 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid?
The CAS number of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid is 79213-79-9.
What is the molecular formula of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid?
The molecular formula of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid is C9H9N3O5S.
What is the molecular weight of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid?
The molecular weight of 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid is 271.03 g/mol.
Where can I buy 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid?
You can request a quote for 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.