4G-385S
TL;DR: 4G-385S (CAS 957010-41-2) is a chemical compound with molecular formula C14H10BrCl2F3N2O2S and molecular weight 475.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2,2-dichloroacetate
Also Known As: 4G-385S, {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl 2,2-dichloroacetate, [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2,2-dichloroacetate, [5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl 2,2-dichloroacetate, {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl2,2-dichloroacetate
| Molecular Formula | C14H10BrCl2F3N2O2S |
|---|---|
| Molecular Weight | 475.90 g/mol |
| LogP | 5.1995 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.89755 |
| Heavy Atoms | 25 |
| Complexity | 766.6727 |
Chemical Identifiers
| CAS Number | 957010-41-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)COC(=O)C(Cl)Cl)SC2=CC=C(C=C2)Br |
Product Overview
4G-385S (CAS 957010-41-2), with molecular formula C14H10BrCl2F3N2O2S and molecular weight 475.90 g/mol. IUPAC: [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl 2,2-dichloroacetate.
Chemical Property Profile of 4G-385S
Property Insights of 4G-385S
The XLogP value of 5.1995 indicates that 4G-385S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 4G-385S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4G-385S has 0 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-385S?
The CAS number of 4G-385S is 957010-41-2.
What is the molecular formula of 4G-385S?
The molecular formula of 4G-385S is C14H10BrCl2F3N2O2S.
What is the molecular weight of 4G-385S?
The molecular weight of 4G-385S is 475.90 g/mol.
Where can I buy 4G-385S?
You can request a quote for 4G-385S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-385S?
Yes, KEHONG BIO provides custom synthesis services for 4G-385S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.