12G-402S
TL;DR: 12G-402S (CAS 317378-06-6) is a chemical compound with molecular formula C18H18ClF3N2O4S and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
Also Known As: 12G-402S, 2-{[(4-chlorophenyl)sulfonyl]amino}-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide, 2-(4-chlorobenzenesulfonamido)-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide, 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide, N~2~-(4-Chlorobenzene-1-sulfonyl)-N-[4-(trifluoromethoxy)phenyl]valinamide
| Molecular Formula | C18H18ClF3N2O4S |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 4.1802 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.0628 |
| Heavy Atoms | 29 |
| Complexity | 946.56665 |
Chemical Identifiers
| CAS Number | 317378-06-6 |
|---|---|
| SMILES | CC(C)C(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
12G-402S (CAS 317378-06-6), with molecular formula C18H18ClF3N2O4S and molecular weight 450.06 g/mol. IUPAC: 2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide.
Chemical Property Profile of 12G-402S
Property Insights of 12G-402S
The XLogP value of 4.1802 indicates that 12G-402S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 12G-402S. Following Lipinski's Rule of Five, 12G-402S has 2 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 12G-402S?
The CAS number of 12G-402S is 317378-06-6.
What is the molecular formula of 12G-402S?
The molecular formula of 12G-402S is C18H18ClF3N2O4S.
What is the molecular weight of 12G-402S?
The molecular weight of 12G-402S is 450.06 g/mol.
Where can I buy 12G-402S?
You can request a quote for 12G-402S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12G-402S?
Yes, KEHONG BIO provides custom synthesis services for 12G-402S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.