![methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate structure](/static/products/958/958965-40-7.png)
methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate
TL;DR: methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate (CAS 958965-40-7) is a chemical compound with molecular formula C18H24F3N3O3S and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoate
Also Known As: methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate, (S)-methyl 4-(methylthio)-2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carboxamido)butanoate, methyl (2S)-4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoate
| Molecular Formula | C18H24F3N3O3S |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.14905 |
| Heavy Atoms | 28 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 958965-40-7 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | QIGBVWRFAAQLOJ-HNNXBMFYSA-N |
Product Overview
methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate (CAS 958965-40-7), with molecular formula C18H24F3N3O3S and molecular weight 419.15 g/mol. IUPAC: methyl (2S)-4-methylsulfanyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]butanoate.
Chemical Property Profile of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate
Property Insights of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate
The XLogP value of 3.0 indicates that methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate. Following Lipinski's Rule of Five, methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate has 1 hydrogen bond donor(s) and 8 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 methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate?
The CAS number of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate is 958965-40-7.
What is the molecular formula of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate?
The molecular formula of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate is C18H24F3N3O3S.
What is the molecular weight of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate?
The molecular weight of methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate is 419.15 g/mol.
Where can I buy methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate?
You can request a quote for methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-methioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.