Methyl 16-methylheptadecanoate
TL;DR: Methyl 16-methylheptadecanoate (CAS 5129-61-3) is a chemical compound with molecular formula C19H38O2 and molecular weight 298.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 16-methylheptadecanoate
Also Known As: Methyl isostearate, Methyl 16-methylheptadecanoate, Methyl isooctadecanoate, 16-Methylheptadecanoic acid methyl ester, Isooctadecanoic acid, methyl ester
| Molecular Formula | C19H38O2 |
|---|---|
| Molecular Weight | 298.29 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 298.28717 |
| Heavy Atoms | 21 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 5129-61-3 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OC |
| InChIKey | KDQIFKKWPMBNOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 16-methylheptadecanoate (CAS 5129-61-3), with molecular formula C19H38O2 and molecular weight 298.29 g/mol. IUPAC: methyl 16-methylheptadecanoate.
Chemical Property Profile of Methyl 16-methylheptadecanoate
Property Insights of Methyl 16-methylheptadecanoate
The XLogP value of 8.7 indicates that Methyl 16-methylheptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 16-methylheptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 16-methylheptadecanoate 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 Methyl 16-methylheptadecanoate?
The CAS number of Methyl 16-methylheptadecanoate is 5129-61-3.
What is the molecular formula of Methyl 16-methylheptadecanoate?
The molecular formula of Methyl 16-methylheptadecanoate is C19H38O2.
What is the molecular weight of Methyl 16-methylheptadecanoate?
The molecular weight of Methyl 16-methylheptadecanoate is 298.29 g/mol.
Where can I buy Methyl 16-methylheptadecanoate?
You can request a quote for Methyl 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 16-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 16-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.