Methyl-5-oxo-decenoate
TL;DR: Methyl-5-oxo-decenoate (CAS 72361-36-5) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxodec-2-enoate
Also Known As: Methyl 5-oxodecenoate, methyl-5-oxo-decenoate, methyl (E)-5-oxodec-2-enoate, Decenoic acid, 5-oxo-, methyl ester
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 72361-36-5 |
|---|---|
| SMILES | CCCCCC(=O)CC=CC(=O)OC |
| InChIKey | LZZLATQXZPEVKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-5-oxo-decenoate (CAS 72361-36-5), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: methyl 5-oxodec-2-enoate.
Chemical Property Profile of Methyl-5-oxo-decenoate
Property Insights of Methyl-5-oxo-decenoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-5-oxo-decenoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl-5-oxo-decenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-5-oxo-decenoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl-5-oxo-decenoate?
The CAS number of Methyl-5-oxo-decenoate is 72361-36-5.
What is the molecular formula of Methyl-5-oxo-decenoate?
The molecular formula of Methyl-5-oxo-decenoate is C11H18O3.
What is the molecular weight of Methyl-5-oxo-decenoate?
The molecular weight of Methyl-5-oxo-decenoate is 198.13 g/mol.
Where can I buy Methyl-5-oxo-decenoate?
You can request a quote for Methyl-5-oxo-decenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-5-oxo-decenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-5-oxo-decenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.