C11H8ClF3N4OS
TL;DR: C11H8ClF3N4OS (CAS 339012-13-4) is a chemical compound with molecular formula C11H8ClF3N4OS and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide
Also Known As: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1-methyl-1H-imidazole-5-carboxamide, 2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-1-methyl-1H-imidazole-5-carboxamide, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methylimidazole-4-carboxamide, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-methyl-1H-imidazole-5-carboxamide, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-methyl-imidazole-4-carboxamide
| Molecular Formula | C11H8ClF3N4OS |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 2.7374 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.00595 |
| Heavy Atoms | 21 |
| Complexity | 701.26215 |
Chemical Identifiers
| CAS Number | 339012-13-4 |
|---|---|
| SMILES | CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N |
Product Overview
C11H8ClF3N4OS (CAS 339012-13-4), with molecular formula C11H8ClF3N4OS and molecular weight 336.01 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazole-4-carboxamide.
Chemical Property Profile of C11H8ClF3N4OS
Property Insights of C11H8ClF3N4OS
The XLogP value of 2.7374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C11H8ClF3N4OS. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C11H8ClF3N4OS. Following Lipinski's Rule of Five, C11H8ClF3N4OS has 1 hydrogen bond donor(s) and 4 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 C11H8ClF3N4OS?
The CAS number of C11H8ClF3N4OS is 339012-13-4.
What is the molecular formula of C11H8ClF3N4OS?
The molecular formula of C11H8ClF3N4OS is C11H8ClF3N4OS.
What is the molecular weight of C11H8ClF3N4OS?
The molecular weight of C11H8ClF3N4OS is 336.01 g/mol.
Where can I buy C11H8ClF3N4OS?
You can request a quote for C11H8ClF3N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H8ClF3N4OS?
Yes, KEHONG BIO provides custom synthesis services for C11H8ClF3N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.