十二酸1-甲基戊酯
TL;DR: 十二酸1-甲基戊酯 (CAS 55194-05-3) 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.
十二酸1-甲基戊酯
hexan-2-yl dodecanoate
Also Known As: sec-Hexyl laurate, hexan-2-yl dodecanoate, sec-hexyllaurate, Sec- hexyl laurate, ISOHEXYL LAURATE
| Molecular Formula | C18H36O2 |
|---|---|
| Molecular Weight | 284.27 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 284.27155 |
| Heavy Atoms | 20 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 55194-05-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC(C)CCCC |
| InChIKey | HKJSIRGFHAJVGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十二酸1-甲基戊酯 (CAS 55194-05-3), with molecular formula C18H36O2 and molecular weight 284.27 g/mol. IUPAC: hexan-2-yl dodecanoate.
Chemical Property Profile of 十二酸1-甲基戊酯
Property Insights of 十二酸1-甲基戊酯
The XLogP value of 7.5 indicates that 十二酸1-甲基戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 十二酸1-甲基戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十二酸1-甲基戊酯 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 十二酸1-甲基戊酯?
The CAS number of 十二酸1-甲基戊酯 is 55194-05-3.
What is the molecular formula of 十二酸1-甲基戊酯?
The molecular formula of 十二酸1-甲基戊酯 is C18H36O2.
What is the molecular weight of 十二酸1-甲基戊酯?
The molecular weight of 十二酸1-甲基戊酯 is 284.27 g/mol.
Where can I buy 十二酸1-甲基戊酯?
You can request a quote for 十二酸1-甲基戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二酸1-甲基戊酯?
Yes, KEHONG BIO provides custom synthesis services for 十二酸1-甲基戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.