Diethyl propylmalonate
TL;DR: Diethyl propylmalonate (CAS 2163-48-6) 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-propylpropanedioate
Also Known As: DIETHYL PROPYLMALONATE, Diethyl 2-propylmalonate, diethyl 2-propylpropanedioate, 3-phenyl-oxindole, DIETHYLPROPYLMALONATE
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 2163-48-6 |
|---|---|
| SMILES | CCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | GRRSDGHTSMJICM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl propylmalonate (CAS 2163-48-6), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: diethyl 2-propylpropanedioate.
Chemical Property Profile of Diethyl propylmalonate
Property Insights of Diethyl propylmalonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl propylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl propylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl propylmalonate 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 propylmalonate?
The CAS number of Diethyl propylmalonate is 2163-48-6.
What is the molecular formula of Diethyl propylmalonate?
The molecular formula of Diethyl propylmalonate is C10H18O4.
What is the molecular weight of Diethyl propylmalonate?
The molecular weight of Diethyl propylmalonate is 202.12 g/mol.
Where can I buy Diethyl propylmalonate?
You can request a quote for Diethyl propylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl propylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl propylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.