3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate
TL;DR: 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate (CAS 378764-49-9) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate
Also Known As: 1-isopropyl-1H-benzimidazole-2-sulfonic acid, 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.9404 |
| Topological Polar Surface Area | 76.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 628.5516 |
Chemical Identifiers
| CAS Number | 378764-49-9 |
|---|---|
| SMILES | CC(C)[N+]1=C(NC2=CC=CC=C21)S(=O)(=O)[O-] |
Product Overview
3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate (CAS 378764-49-9), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate.
Chemical Property Profile of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate
Property Insights of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate
The XLogP value of 0.9404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate. The TPSA of 76.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate. Following Lipinski's Rule of Five, 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate 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 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate?
The CAS number of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate is 378764-49-9.
What is the molecular formula of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate?
The molecular formula of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate is C10H12N2O3S.
What is the molecular weight of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate?
The molecular weight of 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate is 240.06 g/mol.
Where can I buy 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate?
You can request a quote for 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-propan-2-yl-1H-benzimidazol-3-ium-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.