Ethylmalonic acid dipropyl ester
TL;DR: Ethylmalonic acid dipropyl ester (CAS 1113-91-3) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropyl 2-ethylpropanedioate
Also Known As: Dipropyl ethylmalonate, Ethylmalonic acid dipropyl ester, Dipropyl 2-ethylmalonate #, dipropyl 2-ethylpropanedioate, Ethylmalonic acid, dipropyl ester
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 1113-91-3 |
|---|---|
| SMILES | CCCOC(=O)C(CC)C(=O)OCCC |
| InChIKey | RZSUKLPCTYXZSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylmalonic acid dipropyl ester (CAS 1113-91-3), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: dipropyl 2-ethylpropanedioate.
Chemical Property Profile of Ethylmalonic acid dipropyl ester
Property Insights of Ethylmalonic acid dipropyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylmalonic acid dipropyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Ethylmalonic acid dipropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylmalonic acid dipropyl ester 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 Ethylmalonic acid dipropyl ester?
The CAS number of Ethylmalonic acid dipropyl ester is 1113-91-3.
What is the molecular formula of Ethylmalonic acid dipropyl ester?
The molecular formula of Ethylmalonic acid dipropyl ester is C11H20O4.
What is the molecular weight of Ethylmalonic acid dipropyl ester?
The molecular weight of Ethylmalonic acid dipropyl ester is 216.14 g/mol.
Where can I buy Ethylmalonic acid dipropyl ester?
You can request a quote for Ethylmalonic acid dipropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylmalonic acid dipropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethylmalonic acid dipropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.