Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester
TL;DR: Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester (CAS 5129-00-0) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-bis(4-hydroxyphenyl)acetate
Also Known As: Methyl bis(4-hydroxyphenyl)acetate, methyl 2,2-bis(4-hydroxyphenyl)acetate, methylbis acetate, Methyl=bis(4-hydroxyphenyl)acetate, Benzeneacetic acid, 4-hydroxy-.alpha.-(4-hydroxyphenyl)-, methyl ester
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5129-00-0 |
|---|---|
| SMILES | COC(=O)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChIKey | GKFFBAQBFJBIDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester (CAS 5129-00-0), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: methyl 2,2-bis(4-hydroxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester
Property Insights of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester has 2 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 Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester is 5129-00-0.
What is the molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester is C15H14O4.
What is the molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester is 258.09 g/mol.
Where can I buy Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.