Diethyl ethylmethylmalonate
TL;DR: Diethyl ethylmethylmalonate (CAS 2049-70-9) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-methylpropanedioate
Also Known As: Diethyl 2-ethyl-2-methylmalonate, Diethylisopropylmalonate, Diathylathylmethylmalonat, DIETHYL ETHYLMETHYLMALONATE, diethyl 2-ethyl-2-methylpropanedioate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 2049-70-9 |
|---|---|
| SMILES | CCC(C)(C(=O)OCC)C(=O)OCC |
| InChIKey | ODRGILDUWDVBJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethylmethylmalonate (CAS 2049-70-9), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: diethyl 2-ethyl-2-methylpropanedioate.
Chemical Property Profile of Diethyl ethylmethylmalonate
Property Insights of Diethyl ethylmethylmalonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethylmethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl ethylmethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethylmethylmalonate 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 ethylmethylmalonate?
The CAS number of Diethyl ethylmethylmalonate is 2049-70-9.
What is the molecular formula of Diethyl ethylmethylmalonate?
The molecular formula of Diethyl ethylmethylmalonate is C10H18O4.
What is the molecular weight of Diethyl ethylmethylmalonate?
The molecular weight of Diethyl ethylmethylmalonate is 202.12 g/mol.
Where can I buy Diethyl ethylmethylmalonate?
You can request a quote for Diethyl ethylmethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethylmethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethylmethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.