(3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one
TL;DR: (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one (CAS 215121-89-4) is a chemical compound with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
Also Known As: (3S)-4-BOC-1-CARBOXYMETHYL-3-BENZYL-PIPERAZIN-2-ONE, 5-Cyanothiophene-2-carboxaldehyde, K-6152, 2-[(3S)-3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid, 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-2-oxo-3-(phenylmethyl)-, (3S)-
| Molecular Formula | C18H24N2O5 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 1.7616 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.16852 |
| Heavy Atoms | 25 |
| Complexity | 638.6166 |
Chemical Identifiers
| CAS Number | 215121-89-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]1CC2=CC=CC=C2)CC(=O)O |
Product Overview
(3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one (CAS 215121-89-4), with molecular formula C18H24N2O5 and molecular weight 348.17 g/mol. IUPAC: 2-[(3S)-3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid.
Chemical Property Profile of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one
Property Insights of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one
The XLogP value of 1.7616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one. Following Lipinski's Rule of Five, (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one 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 (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one?
The CAS number of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one is 215121-89-4.
What is the molecular formula of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one?
The molecular formula of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one is C18H24N2O5.
What is the molecular weight of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one?
The molecular weight of (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one is 348.17 g/mol.
Where can I buy (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one?
You can request a quote for (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-Boc-1-carboxymethyl-3-benzyl-piperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.