Diethyl acetoxymalonate
TL;DR: Diethyl acetoxymalonate (CAS 5468-23-5) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetyloxypropanedioate
Also Known As: Diethyl acetoxymalonate, Diethylacetoxymalonate, DIETHYL (ACETYLOXY)MALONATE, diethyl 2-acetyloxypropanedioate, diethyl 2-acetoxymalonate
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5468-23-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)OC(=O)C |
| InChIKey | XZFLUEMBCUUTKI-UHFFFAOYSA-N |
Product Overview
Diethyl acetoxymalonate (CAS 5468-23-5), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: diethyl 2-acetyloxypropanedioate.
Chemical Property Profile of Diethyl acetoxymalonate
Property Insights of Diethyl acetoxymalonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetoxymalonate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetoxymalonate. Following Lipinski's Rule of Five, Diethyl acetoxymalonate has 0 hydrogen bond donor(s) and 6 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 acetoxymalonate?
The CAS number of Diethyl acetoxymalonate is 5468-23-5.
What is the molecular formula of Diethyl acetoxymalonate?
The molecular formula of Diethyl acetoxymalonate is C9H14O6.
What is the molecular weight of Diethyl acetoxymalonate?
The molecular weight of Diethyl acetoxymalonate is 218.08 g/mol.
Where can I buy Diethyl acetoxymalonate?
You can request a quote for Diethyl acetoxymalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetoxymalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetoxymalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.