beta-4-Hydroxyphenylhydracrylic acid
TL;DR: beta-4-Hydroxyphenylhydracrylic acid (CAS 76833-34-6) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-(4-hydroxyphenyl)propanoic acid
Also Known As: 3-hydroxy-3-(4-hydroxyphenyl)propanoic acid, Esmolol Impurity 51, beta-4-Hydroxyphenylhydracrylic acid, dihydroxyphenylpropionic acid, ESMOLOL IMPURITY 35
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 76833-34-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)O)O)O |
| InChIKey | AKWHTKRUNUYXDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-4-Hydroxyphenylhydracrylic acid (CAS 76833-34-6), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 3-hydroxy-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of beta-4-Hydroxyphenylhydracrylic acid
Property Insights of beta-4-Hydroxyphenylhydracrylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-4-Hydroxyphenylhydracrylic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-4-Hydroxyphenylhydracrylic acid. Following Lipinski's Rule of Five, beta-4-Hydroxyphenylhydracrylic acid has 3 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 beta-4-Hydroxyphenylhydracrylic acid?
The CAS number of beta-4-Hydroxyphenylhydracrylic acid is 76833-34-6.
What is the molecular formula of beta-4-Hydroxyphenylhydracrylic acid?
The molecular formula of beta-4-Hydroxyphenylhydracrylic acid is C9H10O4.
What is the molecular weight of beta-4-Hydroxyphenylhydracrylic acid?
The molecular weight of beta-4-Hydroxyphenylhydracrylic acid is 182.06 g/mol.
Where can I buy beta-4-Hydroxyphenylhydracrylic acid?
You can request a quote for beta-4-Hydroxyphenylhydracrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-4-Hydroxyphenylhydracrylic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-4-Hydroxyphenylhydracrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.