7H-046
TL;DR: 7H-046 (CAS 344261-85-4) is a chemical compound with molecular formula C18H11ClF6N4O2S and molecular weight 496.02 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-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
Also Known As: 7H-046, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide, 2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-1-methyl-N-(4-(trifluoromethoxy)phenyl)-1H-imidazole-5-carboxamide, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1-methyl-N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxamide, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-methyl-N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxamide
| Molecular Formula | C18H11ClF6N4O2S |
|---|---|
| Molecular Weight | 496.02 g/mol |
| LogP | 5.7894 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.01953 |
| Heavy Atoms | 32 |
| Complexity | 1131.979 |
Chemical Identifiers
| CAS Number | 344261-85-4 |
|---|---|
| SMILES | CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
7H-046 (CAS 344261-85-4), with molecular formula C18H11ClF6N4O2S and molecular weight 496.02 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.
Chemical Property Profile of 7H-046
Property Insights of 7H-046
The XLogP value of 5.7894 indicates that 7H-046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-046. Following Lipinski's Rule of Five, 7H-046 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7H-046?
The CAS number of 7H-046 is 344261-85-4.
What is the molecular formula of 7H-046?
The molecular formula of 7H-046 is C18H11ClF6N4O2S.
What is the molecular weight of 7H-046?
The molecular weight of 7H-046 is 496.02 g/mol.
Where can I buy 7H-046?
You can request a quote for 7H-046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-046?
Yes, KEHONG BIO provides custom synthesis services for 7H-046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.