Monoethyl 4-Oxoheptanedioate
TL;DR: Monoethyl 4-Oxoheptanedioate (CAS 1506-55-4) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-4,7-dioxoheptanoic acid
Also Known As: 7-Ethoxy-4,7-dioxoheptanoic acid, Monoethyl 4-Oxoheptanedioate, 3-Oxopentane-1,5-dicarboxylic Acid Monoethyl Ester, Monoethyl4-Oxoheptanedioate, Ethyl hydrogen 4-oxoheptanedioate
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 1506-55-4 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)CCC(=O)O |
| InChIKey | JYEYJELELKLPLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoethyl 4-Oxoheptanedioate (CAS 1506-55-4), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: 7-ethoxy-4,7-dioxoheptanoic acid.
Chemical Property Profile of Monoethyl 4-Oxoheptanedioate
Property Insights of Monoethyl 4-Oxoheptanedioate
The XLogP value of -0.5 indicates that Monoethyl 4-Oxoheptanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethyl 4-Oxoheptanedioate. Following Lipinski's Rule of Five, Monoethyl 4-Oxoheptanedioate has 1 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 Monoethyl 4-Oxoheptanedioate?
The CAS number of Monoethyl 4-Oxoheptanedioate is 1506-55-4.
What is the molecular formula of Monoethyl 4-Oxoheptanedioate?
The molecular formula of Monoethyl 4-Oxoheptanedioate is C9H14O5.
What is the molecular weight of Monoethyl 4-Oxoheptanedioate?
The molecular weight of Monoethyl 4-Oxoheptanedioate is 202.08 g/mol.
Where can I buy Monoethyl 4-Oxoheptanedioate?
You can request a quote for Monoethyl 4-Oxoheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethyl 4-Oxoheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Monoethyl 4-Oxoheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.