(S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate
TL;DR: (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate (CAS 1173679-39-4) is a chemical compound with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-3-phenylpropanoate
Also Known As: (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate
| Molecular Formula | C18H26N2O3 |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 2.4582 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.19434 |
| Heavy Atoms | 23 |
| Complexity | 522.32806 |
Chemical Identifiers
| CAS Number | 1173679-39-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](CN(C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C |
Product Overview
(S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate (CAS 1173679-39-4), with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol. IUPAC: methyl (2S)-2-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-3-phenylpropanoate.
Chemical Property Profile of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate
Property Insights of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate
The XLogP value of 2.4582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate. With a topological polar surface area (TPSA) of 58.64 Ų, (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate has 1 hydrogen bond donor(s) and 3 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-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate?
The CAS number of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate is 1173679-39-4.
What is the molecular formula of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate?
The molecular formula of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate is C18H26N2O3.
What is the molecular weight of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate?
The molecular weight of (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate is 318.19 g/mol.
Where can I buy (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate?
You can request a quote for (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate 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-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-((3S,5R)-3,5-dimethylpiperidine-1-carboxamido)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.