1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-
TL;DR: 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- (CAS 72020-29-2) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid
Also Known As: 5-25-09-00242 (Beilstein Handbook Reference), 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-, 7-(Aminosulfonyl)-1-butyl-2-methyl-1H-benzimidazole-5-carboxylic acid, 1-butyl-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid, 1-Butyl-2-methyl-7-sulfamoyl-1H-1,3-benzimidazole-5-carboxylic acid
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 1.49042 |
| Topological Polar Surface Area | 115.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 808.42096 |
Chemical Identifiers
| CAS Number | 72020-29-2 |
|---|---|
| SMILES | CCCCN1C(=NC2=C1C(=CC(=C2)C(=O)O)S(=O)(=O)N)C |
Product Overview
1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- (CAS 72020-29-2), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: 1-butyl-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid.
Chemical Property Profile of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-
Property Insights of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-
The XLogP value of 1.49042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-. The TPSA of 115.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-. Following Lipinski's Rule of Five, 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- has 2 hydrogen bond donor(s) and 4 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 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-?
The CAS number of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- is 72020-29-2.
What is the molecular formula of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-?
The molecular formula of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- is C13H17N3O4S.
What is the molecular weight of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-?
The molecular weight of 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- is 311.09 g/mol.
Where can I buy 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-?
You can request a quote for 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-5-carboxylic acid, 7-(aminosulfonyl)-1-butyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.