Benzoic acid, 3-(2'-hexylpiperidino)propyl ester
TL;DR: Benzoic acid, 3-(2'-hexylpiperidino)propyl ester (CAS 63916-84-7) is a chemical compound with molecular formula C21H33NO2 and molecular weight 331.25113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-hexylpiperidin-1-yl)propyl benzoate
Also Known As: 3-(2'-Hexylpiperidino)propyl benzoate, 3-(2-hexylpiperidin-1-yl)propyl benzoate, 3-(2-Hexylpiperidino)propyl=benzoate, 1-Piperidinepropanol,2-hexyl-,1-benzoate, 1-Piperidinepropanol,2-hexyl-, 1-benzoate
Technical Specifications
| Molecular Formula | C21H33NO2 |
| Molecular Weight | 331.25113 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 331.25113 Da |
| Heavy Atoms | 24 |
| Complexity | 339.0 |
| SMILES | CCCCCCC1CCCCN1CCCOC(=O)C2=CC=CC=C2 |
| InChIKey | DTNVIQYPPCCDBY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester
Property Insights of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester
The XLogP value of 6.0 indicates that Benzoic acid, 3-(2'-hexylpiperidino)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, 3-(2'-hexylpiperidino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(2'-hexylpiperidino)propyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester?
The CAS number of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester is 63916-84-7.
What is the molecular formula of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester?
The molecular formula of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester is C21H33NO2.
What is the molecular weight of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester?
The molecular weight of Benzoic acid, 3-(2'-hexylpiperidino)propyl ester is 331.25113 g/mol.
Where can I buy Benzoic acid, 3-(2'-hexylpiperidino)propyl ester?
You can request a quote for Benzoic acid, 3-(2'-hexylpiperidino)propyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-(2'-hexylpiperidino)propyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-(2'-hexylpiperidino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.