4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester
TL;DR: 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester (CAS 101997-37-9) is a chemical compound with molecular formula C21H25NO3 and molecular weight 339.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2-phenylacetate
Also Known As: 1-Benzyl-4-(alpha-methoxycarbonylbenzyl)-4-hydroxypiperidine, 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester, methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2-phenylacetate, methyl (1-benzyl-4-hydroxypiperidin-4-yl)(phenyl)acetate, 1-Benzyl-4-hydroxy-alpha-phenyl-4-piperidineacetic acid methyl ester
| Molecular Formula | C21H25NO3 |
|---|---|
| Molecular Weight | 339.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.18344 |
| Heavy Atoms | 25 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 101997-37-9 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)O |
| InChIKey | UHQATSRWAFZSAY-UHFFFAOYSA-N |
Product Overview
4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester (CAS 101997-37-9), with molecular formula C21H25NO3 and molecular weight 339.18 g/mol. IUPAC: methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)-2-phenylacetate.
Chemical Property Profile of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester
Property Insights of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester
The XLogP value of 3.5 indicates that 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester 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 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester?
The CAS number of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester is 101997-37-9.
What is the molecular formula of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester?
The molecular formula of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester is C21H25NO3.
What is the molecular weight of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester?
The molecular weight of 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester is 339.18 g/mol.
Where can I buy 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester?
You can request a quote for 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidineacetic acid, 1-benzyl-4-hydroxy-alpha-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.