Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester
TL;DR: Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester (CAS 64050-41-5) is a chemical compound with molecular formula C22H27NO2 and molecular weight 337.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpiperidin-1-yl)propyl 4-phenylbenzoate
Also Known As: 3-(2-methylpiperidin-1-yl)propyl 4-phenylbenzoate, 3-(2'-Methylpiperidino)propyl p-phenylbenzoate, 1-Piperidinebutanol,2-methyl-,1-benzoate, 3-(2-Methylpiperidino)propyl=p-phenylbenzoate, BENZOIC ACID, p-PHENYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER
| Molecular Formula | C22H27NO2 |
|---|---|
| Molecular Weight | 337.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.2042 |
| Heavy Atoms | 25 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 64050-41-5 |
|---|---|
| SMILES | CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
| InChIKey | YHUJWSLDSRQQKZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester (CAS 64050-41-5), with molecular formula C22H27NO2 and molecular weight 337.20 g/mol. IUPAC: 3-(2-methylpiperidin-1-yl)propyl 4-phenylbenzoate.
Chemical Property Profile of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester
Property Insights of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester
The XLogP value of 5.1 indicates that Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester?
The CAS number of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester is 64050-41-5.
What is the molecular formula of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester?
The molecular formula of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester is C22H27NO2.
What is the molecular weight of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester?
The molecular weight of Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester is 337.20 g/mol.
Where can I buy Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester?
You can request a quote for Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-phenyl-, 3-(2'-methylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.