Methyl 7-oxoheptanoate
TL;DR: Methyl 7-oxoheptanoate (CAS 35376-00-2) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-oxoheptanoate
Also Known As: Methyl 7-oxoheptanoate, 7-oxoheptanoic acid methyl ester, methyl7-oxoheptanoate, Heptanoic acid, 7-oxo-,methyl ester, methyl 7-ketoheptanoate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.3088 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 120.50558 |
Chemical Identifiers
| CAS Number | 35376-00-2 |
|---|---|
| SMILES | COC(=O)CCCCCC=O |
Product Overview
Methyl 7-oxoheptanoate (CAS 35376-00-2), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 7-oxoheptanoate.
Chemical Property Profile of Methyl 7-oxoheptanoate
Property Insights of Methyl 7-oxoheptanoate
The XLogP value of 1.3088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-oxoheptanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 7-oxoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-oxoheptanoate 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 7-oxoheptanoate?
The CAS number of Methyl 7-oxoheptanoate is 35376-00-2.
What is the molecular formula of Methyl 7-oxoheptanoate?
The molecular formula of Methyl 7-oxoheptanoate is C8H14O3.
What is the molecular weight of Methyl 7-oxoheptanoate?
The molecular weight of Methyl 7-oxoheptanoate is 158.09 g/mol.
Where can I buy Methyl 7-oxoheptanoate?
You can request a quote for Methyl 7-oxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-oxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-oxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.