4G-372S
TL;DR: 4G-372S (CAS 318239-58-6) is a chemical compound with molecular formula C14H12BrF3N2O2S and molecular weight 407.98 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 acetate
Also Known As: 4G-372S, [5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl acetate, [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate, {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methyl acetate, {5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylacetate
| Molecular Formula | C14H12BrF3N2O2S |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 4.4157 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.9755 |
| Heavy Atoms | 23 |
| Complexity | 714.04785 |
Chemical Identifiers
| CAS Number | 318239-58-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(N(N=C1C(F)(F)F)C)SC2=CC=C(C=C2)Br |
Product Overview
4G-372S (CAS 318239-58-6), with molecular formula C14H12BrF3N2O2S and molecular weight 407.98 g/mol. IUPAC: [5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl acetate.
Chemical Property Profile of 4G-372S
Property Insights of 4G-372S
The XLogP value of 4.4157 indicates that 4G-372S 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-372S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4G-372S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4G-372S?
The CAS number of 4G-372S is 318239-58-6.
What is the molecular formula of 4G-372S?
The molecular formula of 4G-372S is C14H12BrF3N2O2S.
What is the molecular weight of 4G-372S?
The molecular weight of 4G-372S is 407.98 g/mol.
Where can I buy 4G-372S?
You can request a quote for 4G-372S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-372S?
Yes, KEHONG BIO provides custom synthesis services for 4G-372S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.