4G-390S
TL;DR: 4G-390S (CAS 318239-64-4) is a chemical compound with molecular formula C20H14ClF6N3O2S and molecular weight 509.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate
Also Known As: 4G-390S, (1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate, [1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate, [1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate, [1-methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazol-4-yl]methylN-(4-chlorophenyl)carbamate
| Molecular Formula | C20H14ClF6N3O2S |
|---|---|
| Molecular Weight | 509.04 g/mol |
| LogP | 7.011 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.03995 |
| Heavy Atoms | 33 |
| Complexity | 1146.1824 |
Chemical Identifiers
| CAS Number | 318239-64-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)COC(=O)NC2=CC=C(C=C2)Cl)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
4G-390S (CAS 318239-64-4), with molecular formula C20H14ClF6N3O2S and molecular weight 509.04 g/mol. IUPAC: [1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 4G-390S
Property Insights of 4G-390S
The XLogP value of 7.011 indicates that 4G-390S 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-390S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4G-390S 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-390S?
The CAS number of 4G-390S is 318239-64-4.
What is the molecular formula of 4G-390S?
The molecular formula of 4G-390S is C20H14ClF6N3O2S.
What is the molecular weight of 4G-390S?
The molecular weight of 4G-390S is 509.04 g/mol.
Where can I buy 4G-390S?
You can request a quote for 4G-390S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-390S?
Yes, KEHONG BIO provides custom synthesis services for 4G-390S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.