Diethyl 2-phenyl-2-(2-propynyl)malonate
TL;DR: Diethyl 2-phenyl-2-(2-propynyl)malonate (CAS 51632-37-2) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-phenyl-2-prop-2-ynylpropanedioate
Also Known As: DIETHYL 2-PHENYL-2-(2-PROPYNYL)MALONATE, diethyl 2-phenyl-2-prop-2-ynylpropanedioate, Diethyl 2-phenyl-2-prop-2-ynyl-propanedioate, J2.908.876D, 2-Propargyl-2-phenylmalonic acid diethyl ester
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 2.0739 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 480.9582 |
Chemical Identifiers
| CAS Number | 51632-37-2 |
|---|---|
| SMILES | CCOC(=O)C(CC#C)(C1=CC=CC=C1)C(=O)OCC |
Product Overview
Diethyl 2-phenyl-2-(2-propynyl)malonate (CAS 51632-37-2), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: diethyl 2-phenyl-2-prop-2-ynylpropanedioate.
Chemical Property Profile of Diethyl 2-phenyl-2-(2-propynyl)malonate
Property Insights of Diethyl 2-phenyl-2-(2-propynyl)malonate
The XLogP value of 2.0739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-phenyl-2-(2-propynyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-phenyl-2-(2-propynyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-phenyl-2-(2-propynyl)malonate 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-phenyl-2-(2-propynyl)malonate?
The CAS number of Diethyl 2-phenyl-2-(2-propynyl)malonate is 51632-37-2.
What is the molecular formula of Diethyl 2-phenyl-2-(2-propynyl)malonate?
The molecular formula of Diethyl 2-phenyl-2-(2-propynyl)malonate is C16H18O4.
What is the molecular weight of Diethyl 2-phenyl-2-(2-propynyl)malonate?
The molecular weight of Diethyl 2-phenyl-2-(2-propynyl)malonate is 274.12 g/mol.
Where can I buy Diethyl 2-phenyl-2-(2-propynyl)malonate?
You can request a quote for Diethyl 2-phenyl-2-(2-propynyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-phenyl-2-(2-propynyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-phenyl-2-(2-propynyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.