3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate
TL;DR: 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate (CAS 690618-18-9) is a chemical compound with molecular formula C20H31NO2 and molecular weight 317.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-pentan-3-ylpiperidin-1-yl)propyl benzoate
Also Known As: 3-(2-pentan-3-ylpiperidin-1-yl)propyl benzoate, 3-(2-pentan-3-yl-1-piperidyl)propyl Benzoate, 3-[2-(pentan-3-yl)piperidin-1-yl]propyl benzoate
| Molecular Formula | C20H31NO2 |
|---|---|
| Molecular Weight | 317.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.23547 |
| Heavy Atoms | 23 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 690618-18-9 |
|---|---|
| SMILES | CCC(CC)C1CCCCN1CCCOC(=O)C2=CC=CC=C2 |
| InChIKey | BYXPNMZDHMUUQO-UHFFFAOYSA-N |
Product Overview
3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate (CAS 690618-18-9), with molecular formula C20H31NO2 and molecular weight 317.24 g/mol. IUPAC: 3-(2-pentan-3-ylpiperidin-1-yl)propyl benzoate.
Chemical Property Profile of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate
Property Insights of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate
The XLogP value of 5.1 indicates that 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate 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 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate?
The CAS number of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate is 690618-18-9.
What is the molecular formula of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate?
The molecular formula of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate is C20H31NO2.
What is the molecular weight of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate?
The molecular weight of 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate is 317.24 g/mol.
Where can I buy 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate?
You can request a quote for 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Pentan-3-ylpiperidin-1-yl)propyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.