4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-
TL;DR: 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- (CAS 36014-99-0) is a chemical compound with molecular formula C8H2Cl3F3N2O3S and molecular weight 367.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonic acid
Also Known As: 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-, 5,6,7-Trichloro-2-(trifluoromethyl)-4-benzimidazolesulfonic acid, 5,6,7-trichloro-2-trifluorometh-yl-benzimidazole-4-sulfonic acid, 5,6,7-trichloro-2-trifluoromethylbenzimidazole-4-sulphonic acid, 5,6,7-Trichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole-4-sulfonic acid
| Molecular Formula | C8H2Cl3F3N2O3S |
|---|---|
| Molecular Weight | 367.88 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.88037 |
| Heavy Atoms | 20 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 36014-99-0 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)S(=O)(=O)O)N=C(N2)C(F)(F)F |
| InChIKey | FWQRRDSRAJTOGV-UHFFFAOYSA-N |
Product Overview
4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- (CAS 36014-99-0), with molecular formula C8H2Cl3F3N2O3S and molecular weight 367.88 g/mol. IUPAC: 5,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonic acid.
Chemical Property Profile of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-
Property Insights of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-
The XLogP value of 3.0 indicates that 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-. Following Lipinski's Rule of Five, 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- has 2 hydrogen bond donor(s) and 7 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 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-?
The CAS number of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- is 36014-99-0.
What is the molecular formula of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-?
The molecular formula of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- is C8H2Cl3F3N2O3S.
What is the molecular weight of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-?
The molecular weight of 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- is 367.88 g/mol.
Where can I buy 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-?
You can request a quote for 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.