5G-411S
TL;DR: 5G-411S (CAS 318469-50-0) is a chemical compound with molecular formula C15H14ClF3N2O4S and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(4-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate
Also Known As: 5G-411S, [5-[(4-chlorobenzyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate, [5-[(4-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate, {5-[(4-chlorophenyl)methanesulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl acetate, {5-[(4-chlorophenyl)methanesulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylacetate
| Molecular Formula | C15H14ClF3N2O4S |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 3.1293 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0315 |
| Heavy Atoms | 26 |
| Complexity | 921.6035 |
Chemical Identifiers
| CAS Number | 318469-50-0 |
|---|---|
| SMILES | CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)S(=O)(=O)CC2=CC=C(C=C2)Cl |
Product Overview
5G-411S (CAS 318469-50-0), with molecular formula C15H14ClF3N2O4S and molecular weight 410.03 g/mol. IUPAC: [5-[(4-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate.
Chemical Property Profile of 5G-411S
Property Insights of 5G-411S
The XLogP value of 3.1293 indicates that 5G-411S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5G-411S. Following Lipinski's Rule of Five, 5G-411S has 0 hydrogen bond donor(s) and 5 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 5G-411S?
The CAS number of 5G-411S is 318469-50-0.
What is the molecular formula of 5G-411S?
The molecular formula of 5G-411S is C15H14ClF3N2O4S.
What is the molecular weight of 5G-411S?
The molecular weight of 5G-411S is 410.03 g/mol.
Where can I buy 5G-411S?
You can request a quote for 5G-411S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5G-411S?
Yes, KEHONG BIO provides custom synthesis services for 5G-411S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.