![Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester structure](/static/products/7651/76510-82-2.webp)
Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester
TL;DR: Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester (CAS 76510-82-2) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
Also Known As: Diethyl 2-(4-hydroxybenzyl)malonate, Diethyl 2-(4-hydroxybenzyl)malonate #, diethyl 2-[(4-hydroxyphenyl)methyl]propanedioate, Diethyl [(4-hydroxyphenyl)methyl]propanedioate, Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 76510-82-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)O)C(=O)OCC |
| InChIKey | WQZQTEDGHBZZOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester (CAS 76510-82-2), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: diethyl 2-[(4-hydroxyphenyl)methyl]propanedioate.
Chemical Property Profile of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester
Property Insights of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester 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 Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester?
The CAS number of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester is 76510-82-2.
What is the molecular formula of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester?
The molecular formula of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester is C14H18O5.
What is the molecular weight of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester?
The molecular weight of Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester is 266.12 g/mol.
Where can I buy Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester?
You can request a quote for Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, [(4-hydroxyphenyl)methyl]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.