1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt
TL;DR: 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt (CAS 63175-96-2) is a chemical compound with molecular formula C14H18Cl2N2O3S and molecular weight 364.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)butane-2-sulfonate
Also Known As: BAS 01317891, 1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt, 5,6-Dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)benzimidazolium inner salt, 1H-Benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, hydroxide, inner salt, 4-(5,6-dichloro-1-ethyl-2-methyl-1h-3,1-benzimidazol-3-ium-3-yl)butane-2-sulfonate
| Molecular Formula | C14H18Cl2N2O3S |
|---|---|
| Molecular Weight | 364.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.0415 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 63175-96-2 |
|---|---|
| SMILES | CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCC(C)S(=O)(=O)[O-])C |
| InChIKey | RMGCGNFGAHQWEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt (CAS 63175-96-2), with molecular formula C14H18Cl2N2O3S and molecular weight 364.04 g/mol. IUPAC: 4-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)butane-2-sulfonate.
Chemical Property Profile of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt
Property Insights of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt
The XLogP value of 3.1 indicates that 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt. Following Lipinski's Rule of Five, 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt has 0 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 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt?
The CAS number of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt is 63175-96-2.
What is the molecular formula of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt?
The molecular formula of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt is C14H18Cl2N2O3S.
What is the molecular weight of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt?
The molecular weight of 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt is 364.04 g/mol.
Where can I buy 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt?
You can request a quote for 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1h-benzimidazolium, 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.