9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-
TL;DR: 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- (CAS 22418-58-2) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-oxododec-9-enoate
Also Known As: methyl 12-oxododec-9-enoate, Methyl 12-oxo-9-dodecenoate, 12-Oxo-9-dodecensaeuremethylester, 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-, RefChem:313081
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 22418-58-2 |
|---|---|
| SMILES | COC(=O)CCCCCCCC=CCC=O |
| InChIKey | QMLVRFHLQFNZEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- (CAS 22418-58-2), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: methyl 12-oxododec-9-enoate.
Chemical Property Profile of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-
Property Insights of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-. With a topological polar surface area (TPSA) of 43.4 Ų, 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- 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 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-?
The CAS number of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- is 22418-58-2.
What is the molecular formula of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-?
The molecular formula of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- is C13H22O3.
What is the molecular weight of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-?
The molecular weight of 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- is 226.16 g/mol.
Where can I buy 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-?
You can request a quote for 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 9-Dodecenoic acid, 12-oxo-, methyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.