Methyl 3-acetyloxy-16-methylheptadecanoate
TL;DR: Methyl 3-acetyloxy-16-methylheptadecanoate (CAS 87538-91-8) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyloxy-16-methylheptadecanoate
Also Known As: methyl 3-acetyloxy-16-methylheptadecanoate, Methyl 3-acetoxy-16-methylheptadecanoate, Methyl 3-(acetyloxy)-16-methylheptadecanoate, HEXADECANOIC ACID DER (FR. LAVANDULA) B, Methyl 3-(acetyloxy)-16-methylheptadecanoate #
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 87538-91-8 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCC(CC(=O)OC)OC(=O)C |
| InChIKey | ZKWLTUFZOPIFMI-UHFFFAOYSA-N |
Product Overview
Methyl 3-acetyloxy-16-methylheptadecanoate (CAS 87538-91-8), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: methyl 3-acetyloxy-16-methylheptadecanoate.
Chemical Property Profile of Methyl 3-acetyloxy-16-methylheptadecanoate
Property Insights of Methyl 3-acetyloxy-16-methylheptadecanoate
The XLogP value of 7.5 indicates that Methyl 3-acetyloxy-16-methylheptadecanoate 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 3-acetyloxy-16-methylheptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-acetyloxy-16-methylheptadecanoate 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 3-acetyloxy-16-methylheptadecanoate?
The CAS number of Methyl 3-acetyloxy-16-methylheptadecanoate is 87538-91-8.
What is the molecular formula of Methyl 3-acetyloxy-16-methylheptadecanoate?
The molecular formula of Methyl 3-acetyloxy-16-methylheptadecanoate is C21H40O4.
What is the molecular weight of Methyl 3-acetyloxy-16-methylheptadecanoate?
The molecular weight of Methyl 3-acetyloxy-16-methylheptadecanoate is 356.29 g/mol.
Where can I buy Methyl 3-acetyloxy-16-methylheptadecanoate?
You can request a quote for Methyl 3-acetyloxy-16-methylheptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetyloxy-16-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetyloxy-16-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.