辛酸-3-苯丙酯
TL;DR: 辛酸-3-苯丙酯 (CAS 68141-25-3) is a chemical compound with molecular formula C17H26O2 and molecular weight 262.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
辛酸-3-苯丙酯
3-phenylpropyl octanoate
Also Known As: 3-Phenylpropyl octanoate, 3-Phenylpropyl caprylate, 3-Phenylpropyl octanoate #, Octanoic acid, 3-phenylpropyl ester, Octanoic acid,3-phenylpropyl ester
| Molecular Formula | C17H26O2 |
|---|---|
| Molecular Weight | 262.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 262.19327 |
| Heavy Atoms | 19 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 68141-25-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCC1=CC=CC=C1 |
| InChIKey | OZLRQNRZFQXBQQ-UHFFFAOYSA-N |
Product Overview
辛酸-3-苯丙酯 (CAS 68141-25-3), with molecular formula C17H26O2 and molecular weight 262.19 g/mol. IUPAC: 3-phenylpropyl octanoate.
Chemical Property Profile of 辛酸-3-苯丙酯
Property Insights of 辛酸-3-苯丙酯
The XLogP value of 5.4 indicates that 辛酸-3-苯丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 辛酸-3-苯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 辛酸-3-苯丙酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 辛酸-3-苯丙酯?
The CAS number of 辛酸-3-苯丙酯 is 68141-25-3.
What is the molecular formula of 辛酸-3-苯丙酯?
The molecular formula of 辛酸-3-苯丙酯 is C17H26O2.
What is the molecular weight of 辛酸-3-苯丙酯?
The molecular weight of 辛酸-3-苯丙酯 is 262.19 g/mol.
Where can I buy 辛酸-3-苯丙酯?
You can request a quote for 辛酸-3-苯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛酸-3-苯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 辛酸-3-苯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.