Methyl 2-(acetyloxy)hexadecanoate
TL;DR: Methyl 2-(acetyloxy)hexadecanoate (CAS 21987-12-2) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloxyhexadecanoate
Also Known As: Methyl 2-(acetyloxy)hexadecanoate, methyl 2-acetyloxyhexadecanoate, 2-Acetyloxyhexadecanoicacidmethylester, Methyl 2-(acetyloxy)hexadecanoate #, 2-Acetyloxyhexadecanoic acid methyl ester
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 21987-12-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)OC)OC(=O)C |
| InChIKey | WWJSOMZBUQZFPA-UHFFFAOYSA-N |
Product Overview
Methyl 2-(acetyloxy)hexadecanoate (CAS 21987-12-2), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: methyl 2-acetyloxyhexadecanoate.
Chemical Property Profile of Methyl 2-(acetyloxy)hexadecanoate
Property Insights of Methyl 2-(acetyloxy)hexadecanoate
The XLogP value of 7.3 indicates that Methyl 2-(acetyloxy)hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-(acetyloxy)hexadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(acetyloxy)hexadecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(acetyloxy)hexadecanoate?
The CAS number of Methyl 2-(acetyloxy)hexadecanoate is 21987-12-2.
What is the molecular formula of Methyl 2-(acetyloxy)hexadecanoate?
The molecular formula of Methyl 2-(acetyloxy)hexadecanoate is C19H36O4.
What is the molecular weight of Methyl 2-(acetyloxy)hexadecanoate?
The molecular weight of Methyl 2-(acetyloxy)hexadecanoate is 328.26 g/mol.
Where can I buy Methyl 2-(acetyloxy)hexadecanoate?
You can request a quote for Methyl 2-(acetyloxy)hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(acetyloxy)hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(acetyloxy)hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.