Diethyl methylmalonate
TL;DR: Diethyl methylmalonate (CAS 609-08-5) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methylpropanedioate
Also Known As: DIETHYL METHYLMALONATE, Diethyl 2-methylmalonate, diethyl 2-methylpropanedioate, Methylmalonic acid diethyl ester, Ethyl methylmalonate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 609-08-5 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=O)OCC |
| InChIKey | UPQZOUHVTJNGFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl methylmalonate (CAS 609-08-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: diethyl 2-methylpropanedioate.
Chemical Property Profile of Diethyl methylmalonate
Property Insights of Diethyl methylmalonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl methylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl methylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl methylmalonate has 0 hydrogen bond donor(s) and 4 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 methylmalonate?
The CAS number of Diethyl methylmalonate is 609-08-5.
What is the molecular formula of Diethyl methylmalonate?
The molecular formula of Diethyl methylmalonate is C8H14O4.
What is the molecular weight of Diethyl methylmalonate?
The molecular weight of Diethyl methylmalonate is 174.09 g/mol.
Where can I buy Diethyl methylmalonate?
You can request a quote for Diethyl methylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl methylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.