4G-405S
TL;DR: 4G-405S (CAS 318239-68-8) is a chemical compound with molecular formula C19H13BrClF3N2O4S and molecular weight 535.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate
Also Known As: 4G-405S, [5-[(4-bromophenyl)sulfonyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 4-chlorobenzenecarboxylate, [5-(4-bromophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate, [5-(4-bromobenzenesulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 4-chlorobenzoate, [5-(4-bromobenzenesulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl4-chlorobenzoate
| Molecular Formula | C19H13BrClF3N2O4S |
|---|---|
| Molecular Weight | 535.94 g/mol |
| LogP | 5.0446 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 535.942 |
| Heavy Atoms | 31 |
| Complexity | 1224.779 |
Chemical Identifiers
| CAS Number | 318239-68-8 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)COC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
4G-405S (CAS 318239-68-8), with molecular formula C19H13BrClF3N2O4S and molecular weight 535.94 g/mol. IUPAC: [5-(4-bromophenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 4-chlorobenzoate.
Chemical Property Profile of 4G-405S
Property Insights of 4G-405S
The XLogP value of 5.0446 indicates that 4G-405S 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 4G-405S. Following Lipinski's Rule of Five, 4G-405S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4G-405S?
The CAS number of 4G-405S is 318239-68-8.
What is the molecular formula of 4G-405S?
The molecular formula of 4G-405S is C19H13BrClF3N2O4S.
What is the molecular weight of 4G-405S?
The molecular weight of 4G-405S is 535.94 g/mol.
Where can I buy 4G-405S?
You can request a quote for 4G-405S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-405S?
Yes, KEHONG BIO provides custom synthesis services for 4G-405S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.