Methyl 3-oxopentadecanoate
TL;DR: Methyl 3-oxopentadecanoate (CAS 54889-72-4) is a chemical compound with molecular formula C16H30O3 and molecular weight 270.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxopentadecanoate
Also Known As: Methyl 3-oxopentadecanoate, 3-Oxopentadecanoic acid methyl ester, Methyl 3-oxopentadecanoate #, 3-Oxopentadecanoicacidmethylester, Pentadecanoic acid, 3-oxo-, methyl ester
| Molecular Formula | C16H30O3 |
|---|---|
| Molecular Weight | 270.22 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 270.21948 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 54889-72-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC(=O)CC(=O)OC |
| InChIKey | CFDZNJRIILJIAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-oxopentadecanoate (CAS 54889-72-4), with molecular formula C16H30O3 and molecular weight 270.22 g/mol. IUPAC: methyl 3-oxopentadecanoate.
Chemical Property Profile of Methyl 3-oxopentadecanoate
Property Insights of Methyl 3-oxopentadecanoate
The XLogP value of 5.7 indicates that Methyl 3-oxopentadecanoate 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-oxopentadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxopentadecanoate 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-oxopentadecanoate?
The CAS number of Methyl 3-oxopentadecanoate is 54889-72-4.
What is the molecular formula of Methyl 3-oxopentadecanoate?
The molecular formula of Methyl 3-oxopentadecanoate is C16H30O3.
What is the molecular weight of Methyl 3-oxopentadecanoate?
The molecular weight of Methyl 3-oxopentadecanoate is 270.22 g/mol.
Where can I buy Methyl 3-oxopentadecanoate?
You can request a quote for Methyl 3-oxopentadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxopentadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxopentadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.