酮基丙二酸二乙酯
TL;DR: 酮基丙二酸二乙酯 (CAS 609-09-6) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酮基丙二酸二乙酯
diethyl 2-oxopropanedioate
Also Known As: Diethyl ketomalonate, Diethyl mesoxalate, Diethyl 2-oxomalonate, Ethyl mesoxalate, Diethyl oxomalonate
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.05283 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 609-09-6 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=O)OCC |
| InChIKey | DBKKFIIYQGGHJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酮基丙二酸二乙酯 (CAS 609-09-6), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: diethyl 2-oxopropanedioate.
Chemical Property Profile of 酮基丙二酸二乙酯
Property Insights of 酮基丙二酸二乙酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 酮基丙二酸二乙酯. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 酮基丙二酸二乙酯. Following Lipinski's Rule of Five, 酮基丙二酸二乙酯 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 酮基丙二酸二乙酯?
The CAS number of 酮基丙二酸二乙酯 is 609-09-6.
What is the molecular formula of 酮基丙二酸二乙酯?
The molecular formula of 酮基丙二酸二乙酯 is C7H10O5.
What is the molecular weight of 酮基丙二酸二乙酯?
The molecular weight of 酮基丙二酸二乙酯 is 174.05 g/mol.
Where can I buy 酮基丙二酸二乙酯?
You can request a quote for 酮基丙二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酮基丙二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 酮基丙二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.