Diethyl 2-(4-hydroxybenzylidene)malonate
TL;DR: Diethyl 2-(4-hydroxybenzylidene)malonate (CAS 17315-86-5) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-hydroxyphenyl)methylidene]propanedioate
Also Known As: Diethyl 2-(4-hydroxybenzylidene)malonate, 2-(4-hydroxy-benzylidene)-malonic acid diethyl ester, diethyl (4-hydroxybenzylidene)propanedioate, 1,3-DIETHYL 2-[(4-HYDROXYPHENYL)METHYLIDENE]PROPANEDIOATE, diethyl 2-[(4-hydroxyphenyl)methylidene]propanedioate
| Molecular Formula | C14H16O5 |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.09976 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 17315-86-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)O)C(=O)OCC |
| InChIKey | UEOXKWFFLGYVKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(4-hydroxybenzylidene)malonate (CAS 17315-86-5), with molecular formula C14H16O5 and molecular weight 264.10 g/mol. IUPAC: diethyl 2-[(4-hydroxyphenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(4-hydroxybenzylidene)malonate
Property Insights of Diethyl 2-(4-hydroxybenzylidene)malonate
The XLogP value of 3.0 indicates that Diethyl 2-(4-hydroxybenzylidene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(4-hydroxybenzylidene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(4-hydroxybenzylidene)malonate 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 2-(4-hydroxybenzylidene)malonate?
The CAS number of Diethyl 2-(4-hydroxybenzylidene)malonate is 17315-86-5.
What is the molecular formula of Diethyl 2-(4-hydroxybenzylidene)malonate?
The molecular formula of Diethyl 2-(4-hydroxybenzylidene)malonate is C14H16O5.
What is the molecular weight of Diethyl 2-(4-hydroxybenzylidene)malonate?
The molecular weight of Diethyl 2-(4-hydroxybenzylidene)malonate is 264.10 g/mol.
Where can I buy Diethyl 2-(4-hydroxybenzylidene)malonate?
You can request a quote for Diethyl 2-(4-hydroxybenzylidene)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-(4-hydroxybenzylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-hydroxybenzylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.