12G-391S
TL;DR: 12G-391S (CAS 317377-92-7) is a chemical compound with molecular formula C18H16ClF3N2O3S and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
Also Known As: 12G-391S, 1-[(2-chlorophenyl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxamide, 1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide, 1-(2-chlorobenzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
| Molecular Formula | C18H16ClF3N2O3S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 4.1506 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.05222 |
| Heavy Atoms | 28 |
| Complexity | 995.5655 |
Chemical Identifiers
| CAS Number | 317377-92-7 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
12G-391S (CAS 317377-92-7), with molecular formula C18H16ClF3N2O3S and molecular weight 432.05 g/mol. IUPAC: 1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of 12G-391S
Property Insights of 12G-391S
The XLogP value of 4.1506 indicates that 12G-391S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 12G-391S. Following Lipinski's Rule of Five, 12G-391S 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 12G-391S?
The CAS number of 12G-391S is 317377-92-7.
What is the molecular formula of 12G-391S?
The molecular formula of 12G-391S is C18H16ClF3N2O3S.
What is the molecular weight of 12G-391S?
The molecular weight of 12G-391S is 432.05 g/mol.
Where can I buy 12G-391S?
You can request a quote for 12G-391S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12G-391S?
Yes, KEHONG BIO provides custom synthesis services for 12G-391S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.