5G-428S
TL;DR: 5G-428S (CAS 955962-84-2) is a chemical compound with molecular formula C16H16ClF3N2O4S and molecular weight 424.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(2-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl propanoate
Also Known As: 5G-428S, [5-[(2-chlorobenzyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl propionate, [5-[(2-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl propanoate, {5-[(2-chlorophenyl)methanesulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl propanoate, {5-[(2-chlorophenyl)methanesulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylpropanoate
| Molecular Formula | C16H16ClF3N2O4S |
|---|---|
| Molecular Weight | 424.05 g/mol |
| LogP | 3.5194 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.04715 |
| Heavy Atoms | 27 |
| Complexity | 955.06036 |
Chemical Identifiers
| CAS Number | 955962-84-2 |
|---|---|
| SMILES | CCC(=O)OCC1=C(N(N=C1C(F)(F)F)C)S(=O)(=O)CC2=CC=CC=C2Cl |
Product Overview
5G-428S (CAS 955962-84-2), with molecular formula C16H16ClF3N2O4S and molecular weight 424.05 g/mol. IUPAC: [5-[(2-chlorophenyl)methylsulfonyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl propanoate.
Chemical Property Profile of 5G-428S
Property Insights of 5G-428S
The XLogP value of 3.5194 indicates that 5G-428S 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-428S. Following Lipinski's Rule of Five, 5G-428S 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-428S?
The CAS number of 5G-428S is 955962-84-2.
What is the molecular formula of 5G-428S?
The molecular formula of 5G-428S is C16H16ClF3N2O4S.
What is the molecular weight of 5G-428S?
The molecular weight of 5G-428S is 424.05 g/mol.
Where can I buy 5G-428S?
You can request a quote for 5G-428S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5G-428S?
Yes, KEHONG BIO provides custom synthesis services for 5G-428S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.