4G-389S
TL;DR: 4G-389S (CAS 318239-63-3) is a chemical compound with molecular formula C19H15ClF3N3O2S and molecular weight 441.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate
Also Known As: 4G-389S, [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate, [1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate, [1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylN-(4-chlorophenyl)carbamate
| Molecular Formula | C19H15ClF3N3O2S |
|---|---|
| Molecular Weight | 441.05 g/mol |
| LogP | 5.9922 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.05255 |
| Heavy Atoms | 29 |
| Complexity | 992.42914 |
Chemical Identifiers
| CAS Number | 318239-63-3 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)COC(=O)NC2=CC=C(C=C2)Cl)SC3=CC=CC=C3 |
Product Overview
4G-389S (CAS 318239-63-3), with molecular formula C19H15ClF3N3O2S and molecular weight 441.05 g/mol. IUPAC: [1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 4G-389S
Property Insights of 4G-389S
The XLogP value of 5.9922 indicates that 4G-389S 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-389S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4G-389S 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-389S?
The CAS number of 4G-389S is 318239-63-3.
What is the molecular formula of 4G-389S?
The molecular formula of 4G-389S is C19H15ClF3N3O2S.
What is the molecular weight of 4G-389S?
The molecular weight of 4G-389S is 441.05 g/mol.
Where can I buy 4G-389S?
You can request a quote for 4G-389S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-389S?
Yes, KEHONG BIO provides custom synthesis services for 4G-389S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.