Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester
TL;DR: Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester (CAS 64050-35-7) is a chemical compound with molecular formula C20H29NO2 and molecular weight 315.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(E)-pent-3-enyl]piperidin-1-yl]propyl benzoate
Also Known As: 3-(2'-Pent-3''-enylpiperidino)propyl benzoate, 1-Piperidinebutanol,2-methyl-,1-benzoate, 3-[2-(3-Pentenyl)piperidino]propyl=benzoate, BENZOIC ACID, 3-(2'-PENT-3''-ENYLPIPERIDINO)PROPYL ESTER, 3-[2-[(E)-pent-3-enyl]piperidin-1-yl]propyl benzoate
| Molecular Formula | C20H29NO2 |
|---|---|
| Molecular Weight | 315.22 g/mol |
| LogP | 4.4443 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.21982 |
| Heavy Atoms | 23 |
| Complexity | 483.67487 |
Chemical Identifiers
| CAS Number | 64050-35-7 |
|---|---|
| SMILES | C/C=C/CCC1CCCCN1CCCOC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester (CAS 64050-35-7), with molecular formula C20H29NO2 and molecular weight 315.22 g/mol. IUPAC: 3-[2-[(E)-pent-3-enyl]piperidin-1-yl]propyl benzoate.
Chemical Property Profile of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester
Property Insights of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester
The XLogP value of 4.4443 indicates that Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester 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 Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester?
The CAS number of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester is 64050-35-7.
What is the molecular formula of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester?
The molecular formula of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester is C20H29NO2.
What is the molecular weight of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester?
The molecular weight of Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester is 315.22 g/mol.
Where can I buy Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester?
You can request a quote for Benzoic acid, 3-(2'-pent-3''-enylpiperidino)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, 3-(2'-pent-3''-enylpiperidino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(2'-pent-3''-enylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.