1H-063
TL;DR: 1H-063 (CAS 321430-97-1) is a chemical compound with molecular formula C17H10ClF4NO2S2 and molecular weight 434.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[[5-(4-fluorophenyl)sulfonylthiophen-2-yl]methyl]-5-(trifluoromethyl)pyridine
Also Known As: 1H-063, 3-chloro-2-({5-[(4-fluorophenyl)sulfonyl]-2-thienyl}methyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-[[5-(4-fluorophenyl)sulfonylthiophen-2-yl]methyl]-5-(trifluoromethyl)pyridine, 3-chloro-2-{[5-(4-fluorobenzenesulfonyl)thiophen-2-yl]methyl}-5-(trifluoromethyl)pyridine
| Molecular Formula | C17H10ClF4NO2S2 |
|---|---|
| Molecular Weight | 434.98 g/mol |
| LogP | 5.378 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.97775 |
| Heavy Atoms | 27 |
| Complexity | 1077.058 |
Chemical Identifiers
| CAS Number | 321430-97-1 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)C2=CC=C(S2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1H-063 (CAS 321430-97-1), with molecular formula C17H10ClF4NO2S2 and molecular weight 434.98 g/mol. IUPAC: 3-chloro-2-[[5-(4-fluorophenyl)sulfonylthiophen-2-yl]methyl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 1H-063
Property Insights of 1H-063
The XLogP value of 5.378 indicates that 1H-063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.03 Ų, 1H-063 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-063 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-063?
The CAS number of 1H-063 is 321430-97-1.
What is the molecular formula of 1H-063?
The molecular formula of 1H-063 is C17H10ClF4NO2S2.
What is the molecular weight of 1H-063?
The molecular weight of 1H-063 is 434.98 g/mol.
Where can I buy 1H-063?
You can request a quote for 1H-063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-063?
Yes, KEHONG BIO provides custom synthesis services for 1H-063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.