4G-393S
TL;DR: 4G-393S (CAS 318239-66-6) is a chemical compound with molecular formula C19H14ClF4N3O2S and molecular weight 459.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate
Also Known As: 4G-393S, [5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate, [5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate, {5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl N-(4-chlorophenyl)carbamate, {5-[(4-fluorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylN-(4-chlorophenyl)carbamate
| Molecular Formula | C19H14ClF4N3O2S |
|---|---|
| Molecular Weight | 459.04 g/mol |
| LogP | 6.1313 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.04315 |
| Heavy Atoms | 30 |
| Complexity | 1037.6733 |
Chemical Identifiers
| CAS Number | 318239-66-6 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)COC(=O)NC2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)F |
Product Overview
4G-393S (CAS 318239-66-6), with molecular formula C19H14ClF4N3O2S and molecular weight 459.04 g/mol. IUPAC: [5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 4G-393S
Property Insights of 4G-393S
The XLogP value of 6.1313 indicates that 4G-393S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 4G-393S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4G-393S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4G-393S?
The CAS number of 4G-393S is 318239-66-6.
What is the molecular formula of 4G-393S?
The molecular formula of 4G-393S is C19H14ClF4N3O2S.
What is the molecular weight of 4G-393S?
The molecular weight of 4G-393S is 459.04 g/mol.
Where can I buy 4G-393S?
You can request a quote for 4G-393S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-393S?
Yes, KEHONG BIO provides custom synthesis services for 4G-393S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.