Diethyl 2-Propynylmalonate
TL;DR: Diethyl 2-Propynylmalonate (CAS 17920-23-9) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-prop-2-ynylpropanedioate
Also Known As: Diethyl 2-(prop-2-yn-1-yl)malonate, Diethyl propargylmalonate, Diethyl 2-Propynylmalonate, diethyl 2-prop-2-ynylpropanedioate, USAF KF-9
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 17920-23-9 |
|---|---|
| SMILES | CCOC(=O)C(CC#C)C(=O)OCC |
| InChIKey | FKXOELIKVUIBLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-Propynylmalonate (CAS 17920-23-9), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: diethyl 2-prop-2-ynylpropanedioate.
Chemical Property Profile of Diethyl 2-Propynylmalonate
Property Insights of Diethyl 2-Propynylmalonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-Propynylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-Propynylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-Propynylmalonate 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 2-Propynylmalonate?
The CAS number of Diethyl 2-Propynylmalonate is 17920-23-9.
What is the molecular formula of Diethyl 2-Propynylmalonate?
The molecular formula of Diethyl 2-Propynylmalonate is C10H14O4.
What is the molecular weight of Diethyl 2-Propynylmalonate?
The molecular weight of Diethyl 2-Propynylmalonate is 198.09 g/mol.
Where can I buy Diethyl 2-Propynylmalonate?
You can request a quote for Diethyl 2-Propynylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-Propynylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-Propynylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.