Diethyl methoxymalonate
TL;DR: Diethyl methoxymalonate (CAS 40924-27-4) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methoxypropanedioate
Also Known As: Diethyl methoxymalonate, Diethyl 2-methoxymalonate, diethyl 2-methoxypropanedioate, Diethyl methoxypropanedioate, 1,3-diethyl 2-methoxypropanedioate
| Molecular Formula | C8H14O5 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.08412 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 40924-27-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)OC |
| InChIKey | PVVGQBKOHXSNOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl methoxymalonate (CAS 40924-27-4), with molecular formula C8H14O5 and molecular weight 190.08 g/mol. IUPAC: diethyl 2-methoxypropanedioate.
Chemical Property Profile of Diethyl methoxymalonate
Property Insights of Diethyl methoxymalonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl methoxymalonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl methoxymalonate. Following Lipinski's Rule of Five, Diethyl methoxymalonate 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 methoxymalonate?
The CAS number of Diethyl methoxymalonate is 40924-27-4.
What is the molecular formula of Diethyl methoxymalonate?
The molecular formula of Diethyl methoxymalonate is C8H14O5.
What is the molecular weight of Diethyl methoxymalonate?
The molecular weight of Diethyl methoxymalonate is 190.08 g/mol.
Where can I buy Diethyl methoxymalonate?
You can request a quote for Diethyl methoxymalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl methoxymalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl methoxymalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.