苯甲酸(1-苯基-2-哌啶基)乙酯
TL;DR: 苯甲酸(1-苯基-2-哌啶基)乙酯 (CAS 67031-68-9) is a chemical compound with molecular formula C20H23NO2 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸(1-苯基-2-哌啶基)乙酯
(1-phenyl-2-piperidin-1-ylethyl) benzoate
Also Known As: N-beta-Benzoyloxy-beta-phenylethylpiperidine, 1-phenyl-2-piperidinoethyl benzoate, 1-Phenyl-2-piperidinoethyl=benzoate, (1-phenyl-2-piperidin-1-ylethyl) benzoate, BENZOIC ACID, (1-PHENYL-2-PIPERIDINO)ETHYL ESTER
| Molecular Formula | C20H23NO2 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.17288 |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 67031-68-9 |
|---|---|
| SMILES | C1CCN(CC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | ARFDWWNAZVZZBC-UHFFFAOYSA-N |
Product Overview
苯甲酸(1-苯基-2-哌啶基)乙酯 (CAS 67031-68-9), with molecular formula C20H23NO2 and molecular weight 309.17 g/mol. IUPAC: (1-phenyl-2-piperidin-1-ylethyl) benzoate.
Chemical Property Profile of 苯甲酸(1-苯基-2-哌啶基)乙酯
Property Insights of 苯甲酸(1-苯基-2-哌啶基)乙酯
The XLogP value of 4.2 indicates that 苯甲酸(1-苯基-2-哌啶基)乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 苯甲酸(1-苯基-2-哌啶基)乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸(1-苯基-2-哌啶基)乙酯 has 0 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 苯甲酸(1-苯基-2-哌啶基)乙酯?
The CAS number of 苯甲酸(1-苯基-2-哌啶基)乙酯 is 67031-68-9.
What is the molecular formula of 苯甲酸(1-苯基-2-哌啶基)乙酯?
The molecular formula of 苯甲酸(1-苯基-2-哌啶基)乙酯 is C20H23NO2.
What is the molecular weight of 苯甲酸(1-苯基-2-哌啶基)乙酯?
The molecular weight of 苯甲酸(1-苯基-2-哌啶基)乙酯 is 309.17 g/mol.
Where can I buy 苯甲酸(1-苯基-2-哌啶基)乙酯?
You can request a quote for 苯甲酸(1-苯基-2-哌啶基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸(1-苯基-2-哌啶基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸(1-苯基-2-哌啶基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.