1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
TL;DR: 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid (CAS 90331-19-4) is a chemical compound with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylbenzimidazole-2-sulfonic acid
Also Known As: 1-ethyl-1H-benzimidazole-2-sulfonic acid, 1-ethylbenzimidazole-2-sulfonic acid, 1-Ethyl-1H-benzoimidazole-2-sulfonic acid, 1H-Benzimidazole-2-sulfonic acid, 1-ethyl-, 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
| Molecular Formula | C9H10N2O3S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 1.3029 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.04121 |
| Heavy Atoms | 15 |
| Complexity | 600.84503 |
Chemical Identifiers
| CAS Number | 90331-19-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N=C1S(=O)(=O)O |
Product Overview
1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid (CAS 90331-19-4), with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol. IUPAC: 1-ethylbenzimidazole-2-sulfonic acid.
Chemical Property Profile of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
Property Insights of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
The XLogP value of 1.3029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid. Following Lipinski's Rule of Five, 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid 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-ethyl-1H-1,3-benzodiazole-2-sulfonic acid?
The CAS number of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid is 90331-19-4.
What is the molecular formula of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid?
The molecular formula of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid is C9H10N2O3S.
What is the molecular weight of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid?
The molecular weight of 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid is 226.04 g/mol.
Where can I buy 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid?
You can request a quote for 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.