Methyl 7-oxooctanoate
TL;DR: Methyl 7-oxooctanoate (CAS 16493-42-8) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 7-oxooctanoate
Also Known As: Methyl 7-oxooctanoate, methyl 7-oxo-octanoate, METHYL-7-OXOOCTANOATE, Methyl 7-oxooctanoate #, Octanoic acid, 7-oxo-, methyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| SMILES | CC(=O)CCCCCC(=O)OC |
| InChIKey | NKWMLOXILABMHV-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 7-oxooctanoate
Property Insights of Methyl 7-oxooctanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-oxooctanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 7-oxooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-oxooctanoate 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
What is the CAS number of Methyl 7-oxooctanoate?
The CAS number of Methyl 7-oxooctanoate is 16493-42-8.
What is the molecular formula of Methyl 7-oxooctanoate?
The molecular formula of Methyl 7-oxooctanoate is C9H16O3.
What is the molecular weight of Methyl 7-oxooctanoate?
The molecular weight of Methyl 7-oxooctanoate is 172.10994 g/mol.
Where can I buy Methyl 7-oxooctanoate?
You can request a quote for Methyl 7-oxooctanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 7-oxooctanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 7-oxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.