1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide
TL;DR: 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide (CAS 851398-72-6) is a chemical compound with molecular formula C12H16ClN3O2S and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2-(chloromethyl)benzimidazole-5-sulfonamide
Also Known As: 1-butyl-2-(chloromethyl)-1H-1,3-benzodiazole-5-sulfonamide, 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide, 1-butyl-2-(chloromethyl)benzimidazole-5-sulfonamide
| Molecular Formula | C12H16ClN3O2S |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 2.2226 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.0652 |
| Heavy Atoms | 19 |
| Complexity | 694.30756 |
Chemical Identifiers
| CAS Number | 851398-72-6 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCl |
Product Overview
1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide (CAS 851398-72-6), with molecular formula C12H16ClN3O2S and molecular weight 301.07 g/mol. IUPAC: 1-butyl-2-(chloromethyl)benzimidazole-5-sulfonamide.
Chemical Property Profile of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide
Property Insights of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide
The XLogP value of 2.2226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide. Following Lipinski's Rule of Five, 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide has 1 hydrogen bond donor(s) and 3 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 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide?
The CAS number of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide is 851398-72-6.
What is the molecular formula of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide?
The molecular formula of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide is C12H16ClN3O2S.
What is the molecular weight of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide?
The molecular weight of 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide is 301.07 g/mol.
Where can I buy 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide?
You can request a quote for 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-2-(chloromethyl)-1H-benzimidazole-5-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.