Diethyl 3-oxoheptanedioate
TL;DR: Diethyl 3-oxoheptanedioate (CAS 40658-97-7) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-oxoheptanedioate
Also Known As: Diethyl 3-oxoheptanedioate, Diethyl 3-oxopimelate, Diethyl3-oxopimelate, 1,7-diethyl 3-oxoheptanedioate, 3-Oxopimelic Acid Diethyl Ester
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 40658-97-7 |
|---|---|
| SMILES | CCOC(=O)CCCC(=O)CC(=O)OCC |
| InChIKey | RTMQRCLOAACETL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-oxoheptanedioate (CAS 40658-97-7), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: diethyl 3-oxoheptanedioate.
Chemical Property Profile of Diethyl 3-oxoheptanedioate
Property Insights of Diethyl 3-oxoheptanedioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-oxoheptanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-oxoheptanedioate. Following Lipinski's Rule of Five, Diethyl 3-oxoheptanedioate has 0 hydrogen bond donor(s) and 5 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 Diethyl 3-oxoheptanedioate?
The CAS number of Diethyl 3-oxoheptanedioate is 40658-97-7.
What is the molecular formula of Diethyl 3-oxoheptanedioate?
The molecular formula of Diethyl 3-oxoheptanedioate is C11H18O5.
What is the molecular weight of Diethyl 3-oxoheptanedioate?
The molecular weight of Diethyl 3-oxoheptanedioate is 230.12 g/mol.
Where can I buy Diethyl 3-oxoheptanedioate?
You can request a quote for Diethyl 3-oxoheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-oxoheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-oxoheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.