壬酸3,5,5-三甲基己酯
TL;DR: 壬酸3,5,5-三甲基己酯 (CAS 67923-51-7) is a chemical compound with molecular formula C18H36O2 and molecular weight 284.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
壬酸3,5,5-三甲基己酯
3,5,5-trimethylhexyl nonanoate
Also Known As: 3,5,5-Trimethylhexyl nonanoate, 3,5,5-Trimethylhexyl nonan-1-oate, Nonanoic acid, 3,5,5-trimethylhexyl ester, NONANOIC ACID 3,5,5-TRIMETHYLHEXYL ESTER, EINECS 267-767-3
| Molecular Formula | C18H36O2 |
|---|---|
| Molecular Weight | 284.27 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 284.27155 |
| Heavy Atoms | 20 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 67923-51-7 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCC(C)CC(C)(C)C |
| InChIKey | HSAPRRNIACHOPX-UHFFFAOYSA-N |
Product Overview
壬酸3,5,5-三甲基己酯 (CAS 67923-51-7), with molecular formula C18H36O2 and molecular weight 284.27 g/mol. IUPAC: 3,5,5-trimethylhexyl nonanoate.
Chemical Property Profile of 壬酸3,5,5-三甲基己酯
Property Insights of 壬酸3,5,5-三甲基己酯
The XLogP value of 7.1 indicates that 壬酸3,5,5-三甲基己酯 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3,5,5-三甲基己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 壬酸3,5,5-三甲基己酯 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3,5,5-三甲基己酯?
The CAS number of 壬酸3,5,5-三甲基己酯 is 67923-51-7.
What is the molecular formula of 壬酸3,5,5-三甲基己酯?
The molecular formula of 壬酸3,5,5-三甲基己酯 is C18H36O2.
What is the molecular weight of 壬酸3,5,5-三甲基己酯?
The molecular weight of 壬酸3,5,5-三甲基己酯 is 284.27 g/mol.
Where can I buy 壬酸3,5,5-三甲基己酯?
You can request a quote for 壬酸3,5,5-三甲基己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 壬酸3,5,5-三甲基己酯?
Yes, KEHONG BIO provides custom synthesis services for 壬酸3,5,5-三甲基己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.