(S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate
TL;DR: (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate (CAS 1173672-20-2) is a chemical compound with molecular formula C17H24ClN3O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate
Also Known As: (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate, methyl (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate
| Molecular Formula | C17H24ClN3O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.4663 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.12268 |
| Heavy Atoms | 25 |
| Complexity | 594.25574 |
Chemical Identifiers
| CAS Number | 1173672-20-2 |
|---|---|
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl |
Product Overview
(S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate (CAS 1173672-20-2), with molecular formula C17H24ClN3O3S and molecular weight 385.12 g/mol. IUPAC: methyl (2S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate
Property Insights of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate
The XLogP value of 2.4663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate has 1 hydrogen bond donor(s) and 5 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 (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate?
The CAS number of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate is 1173672-20-2.
What is the molecular formula of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate?
The molecular formula of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate is C17H24ClN3O3S.
What is the molecular weight of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate?
The molecular weight of (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate is 385.12 g/mol.
Where can I buy (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate?
You can request a quote for (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(4-(3-chlorophenyl)piperazine-1-carboxamido)-4-(methylthio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.