(S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate
TL;DR: (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate (CAS 1173661-51-2) is a chemical compound with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(4-benzylpiperazine-1-carbonyl)amino]propanoate
Also Known As: (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate, Methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]propanoate, methyl (2S)-2-[(4-benzylpiperazine-1-carbonyl)amino]propanoate
| Molecular Formula | C16H23N3O3 |
|---|---|
| Molecular Weight | 305.17 g/mol |
| LogP | 1.0753 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.17395 |
| Heavy Atoms | 22 |
| Complexity | 498.6173 |
Chemical Identifiers
| CAS Number | 1173661-51-2 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
(S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate (CAS 1173661-51-2), with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol. IUPAC: methyl (2S)-2-[(4-benzylpiperazine-1-carbonyl)amino]propanoate.
Chemical Property Profile of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate
Property Insights of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate
The XLogP value of 1.0753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate has 1 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 (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate?
The CAS number of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate is 1173661-51-2.
What is the molecular formula of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate?
The molecular formula of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate is C16H23N3O3.
What is the molecular weight of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate?
The molecular weight of (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate is 305.17 g/mol.
Where can I buy (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate?
You can request a quote for (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate 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-benzylpiperazine-1-carboxamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(4-benzylpiperazine-1-carboxamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.