十四烷酸异辛酯
TL;DR: 十四烷酸异辛酯 (CAS 90894-96-5) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十四烷酸异辛酯
6-methylheptyl tetradecanoate
Also Known As: Isooctyl myristate, 6-methylheptyl tetradecanoate, Tetradecanoic acid, isooctyl ester, Tetradecanoic acid, 6-methylheptyl ester, 2-hydroxy-23,94-docosaoxidan-9-one
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 90894-96-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCCCCCC(C)C |
| InChIKey | HMRWHRBSEMHEFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十四烷酸异辛酯 (CAS 90894-96-5), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: 6-methylheptyl tetradecanoate.
Chemical Property Profile of 十四烷酸异辛酯
Property Insights of 十四烷酸异辛酯
The XLogP value of 9.5 indicates that 十四烷酸异辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 十四烷酸异辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十四烷酸异辛酯 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 十四烷酸异辛酯?
The CAS number of 十四烷酸异辛酯 is 90894-96-5.
What is the molecular formula of 十四烷酸异辛酯?
The molecular formula of 十四烷酸异辛酯 is C22H44O2.
What is the molecular weight of 十四烷酸异辛酯?
The molecular weight of 十四烷酸异辛酯 is 340.33 g/mol.
Where can I buy 十四烷酸异辛酯?
You can request a quote for 十四烷酸异辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十四烷酸异辛酯?
Yes, KEHONG BIO provides custom synthesis services for 十四烷酸异辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.