Diethyl hydroxy(phenyl)propanedioate
TL;DR: Diethyl hydroxy(phenyl)propanedioate (CAS 74134-16-0) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-hydroxy-2-phenylpropanedioate
Also Known As: diethyl hydroxy(phenyl)propanedioate, diethyl 2-hydroxy-2-phenylpropanedioate, Phenyl-hydroxy-malonsaeure-diethylester, Phenylhydroxymalonic acid diethyl ester, 2-Hydroxy-2-phenylmalonic acid diethyl ester
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 74134-16-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)(C(=O)OCC)O |
| InChIKey | BXDHPFGRKARXAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl hydroxy(phenyl)propanedioate (CAS 74134-16-0), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: diethyl 2-hydroxy-2-phenylpropanedioate.
Chemical Property Profile of Diethyl hydroxy(phenyl)propanedioate
Property Insights of Diethyl hydroxy(phenyl)propanedioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl hydroxy(phenyl)propanedioate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl hydroxy(phenyl)propanedioate. Following Lipinski's Rule of Five, Diethyl hydroxy(phenyl)propanedioate has 1 hydrogen bond donor(s) and 5 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 hydroxy(phenyl)propanedioate?
The CAS number of Diethyl hydroxy(phenyl)propanedioate is 74134-16-0.
What is the molecular formula of Diethyl hydroxy(phenyl)propanedioate?
The molecular formula of Diethyl hydroxy(phenyl)propanedioate is C13H16O5.
What is the molecular weight of Diethyl hydroxy(phenyl)propanedioate?
The molecular weight of Diethyl hydroxy(phenyl)propanedioate is 252.10 g/mol.
Where can I buy Diethyl hydroxy(phenyl)propanedioate?
You can request a quote for Diethyl hydroxy(phenyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hydroxy(phenyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hydroxy(phenyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.