Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester
TL;DR: Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester (CAS 71077-33-3) is a chemical compound with molecular formula C18H20O4 and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-bis(4-hydroxyphenyl)acetate
Also Known As: Butyl bis(4-hydroxyphenyl)acetate, butyl 2,2-bis(4-hydroxyphenyl)acetate, butyl bis(p-hydroxyphenyl)acetate, Butyl=2,2-bis(4-hydroxyphenyl)acetate, bis(4-hydroxyphenyl)acetic acid butyl ester
| Molecular Formula | C18H20O4 |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.13617 |
| Heavy Atoms | 22 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 71077-33-3 |
|---|---|
| SMILES | CCCCOC(=O)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChIKey | RFAHZZDUNWEBLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester (CAS 71077-33-3), with molecular formula C18H20O4 and molecular weight 300.14 g/mol. IUPAC: butyl 2,2-bis(4-hydroxyphenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester
Property Insights of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester
The XLogP value of 3.9 indicates that Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl 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)-, butyl ester?
The CAS number of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester is 71077-33-3.
What is the molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester?
The molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester is C18H20O4.
What is the molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester?
The molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester is 300.14 g/mol.
Where can I buy Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester?
You can request a quote for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl 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)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-hydroxy-alpha-(4-hydroxyphenyl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.