Ethyl 6-oxoheptanoate
TL;DR: Ethyl 6-oxoheptanoate (CAS 30956-41-3) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxoheptanoate
Also Known As: Ethyl 6-oxoheptanoate, Ethyl6-oxoheptanoate, ethyl 6-oxo-heptanoate, Ethyl 6-oxoheptanoate #, Heptanoic acid, 6-oxo-, ethyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 30956-41-3 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)C |
| InChIKey | OUHHAOKXQRZRSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-oxoheptanoate (CAS 30956-41-3), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: ethyl 6-oxoheptanoate.
Chemical Property Profile of Ethyl 6-oxoheptanoate
Property Insights of Ethyl 6-oxoheptanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-oxoheptanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 6-oxoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-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 Ethyl 6-oxoheptanoate?
The CAS number of Ethyl 6-oxoheptanoate is 30956-41-3.
What is the molecular formula of Ethyl 6-oxoheptanoate?
The molecular formula of Ethyl 6-oxoheptanoate is C9H16O3.
What is the molecular weight of Ethyl 6-oxoheptanoate?
The molecular weight of Ethyl 6-oxoheptanoate is 172.11 g/mol.
Where can I buy Ethyl 6-oxoheptanoate?
You can request a quote for Ethyl 6-oxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-oxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-oxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.