Methyl 3-oxoicosanoate
TL;DR: Methyl 3-oxoicosanoate (CAS 14531-35-2) is a chemical compound with molecular formula C21H40O3 and molecular weight 340.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxoicosanoate
Also Known As: Methyl 3-oxoicosanoate, methyl-3-oxoeicosanoate, METHYL 3-OXOEICOSANOATE, 3-Ketoarachic acid methyl ester, 3-Oxoicosanoic acid methyl ester
| Molecular Formula | C21H40O3 |
|---|---|
| Molecular Weight | 340.30 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 340.29776 |
| Heavy Atoms | 24 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 14531-35-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)CC(=O)OC |
| InChIKey | ZHYWEHNCZJJFQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-oxoicosanoate (CAS 14531-35-2), with molecular formula C21H40O3 and molecular weight 340.30 g/mol. IUPAC: methyl 3-oxoicosanoate.
Chemical Property Profile of Methyl 3-oxoicosanoate
Property Insights of Methyl 3-oxoicosanoate
The XLogP value of 8.4 indicates that Methyl 3-oxoicosanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-oxoicosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxoicosanoate has 0 hydrogen bond donor(s) and 3 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-oxoicosanoate?
The CAS number of Methyl 3-oxoicosanoate is 14531-35-2.
What is the molecular formula of Methyl 3-oxoicosanoate?
The molecular formula of Methyl 3-oxoicosanoate is C21H40O3.
What is the molecular weight of Methyl 3-oxoicosanoate?
The molecular weight of Methyl 3-oxoicosanoate is 340.30 g/mol.
Where can I buy Methyl 3-oxoicosanoate?
You can request a quote for Methyl 3-oxoicosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxoicosanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxoicosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.