壬酸戊酯
TL;DR: 壬酸戊酯 (CAS 61531-45-1) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壬酸戊酯
pentyl nonanoate
Also Known As: Amyl nonanoate, Pentyl nonanoate, Amyl pelargonate, Nonanoic acid, pentyl ester, Pentyl nonan-1-oate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 61531-45-1 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCCCC |
| InChIKey | DZOQJRHASSOUOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
壬酸戊酯 (CAS 61531-45-1), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: pentyl nonanoate.
Chemical Property Profile of 壬酸戊酯
Property Insights of 壬酸戊酯
The XLogP value of 5.4 indicates that 壬酸戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 壬酸戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 壬酸戊酯 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 壬酸戊酯?
The CAS number of 壬酸戊酯 is 61531-45-1.
What is the molecular formula of 壬酸戊酯?
The molecular formula of 壬酸戊酯 is C14H28O2.
What is the molecular weight of 壬酸戊酯?
The molecular weight of 壬酸戊酯 is 228.21 g/mol.
Where can I buy 壬酸戊酯?
You can request a quote for 壬酸戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壬酸戊酯?
Yes, KEHONG BIO provides custom synthesis services for 壬酸戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.