(S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid
TL;DR: (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid (CAS 958952-11-9) is a chemical compound with molecular formula C26H32N2O5 and molecular weight 452.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid, N-{[1-(tert-butoxycarbonyl)-4-phenylpiperidin-4-yl]carbonyl}-L-phenylalanine, (2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carbonyl)amino]-3-phenyl-propanoic acid, 4-((S)-1-Carboxy-2-phenyl-ethylcarbamoyl)-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester
| Molecular Formula | C26H32N2O5 |
|---|---|
| Molecular Weight | 452.23 g/mol |
| LogP | 3.7674 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.2311 |
| Heavy Atoms | 33 |
| Complexity | 961.1817 |
Chemical Identifiers
| CAS Number | 958952-11-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O |
Product Overview
(S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid (CAS 958952-11-9), with molecular formula C26H32N2O5 and molecular weight 452.23 g/mol. IUPAC: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid
Property Insights of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid
The XLogP value of 3.7674 indicates that (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid has 2 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)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid?
The CAS number of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid is 958952-11-9.
What is the molecular formula of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid?
The molecular formula of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid is C26H32N2O5.
What is the molecular weight of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid?
The molecular weight of (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid is 452.23 g/mol.
Where can I buy (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid?
You can request a quote for (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.