benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
TL;DR: benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (CAS 1253792-17-4) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
Also Known As: (S)-1-Cbz-3-Piperidineacetic Acid Methyl Ester, benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate, (S)-Benzyl 3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.5983 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 474.42514 |
Chemical Identifiers
| CAS Number | 1253792-17-4 |
|---|---|
| SMILES | COC(=O)C[C@@H]1CCCN(C1)C(=O)OCC2=CC=CC=C2 |
Product Overview
benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (CAS 1253792-17-4), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.
Chemical Property Profile of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
Property Insights of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
The XLogP value of 2.5983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate 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 benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The CAS number of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is 1253792-17-4.
What is the molecular formula of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The molecular formula of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is C16H21NO4.
What is the molecular weight of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The molecular weight of benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate is 291.15 g/mol.
Where can I buy benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
You can request a quote for benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.