4-(3-Hydroxyphenyl)-4-oxobutanoic acid
TL;DR: 4-(3-Hydroxyphenyl)-4-oxobutanoic acid (CAS 56872-07-2) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxyphenyl)-4-oxobutanoic acid
Also Known As: 4-(3-Hydroxyphenyl)-4-oxobutanoic acid, 3-(3-hydroxybenzoyl)propionic acid, 4-(3-hydroxyphenyl)-4-oxo-butanoic acid, 4-(3-hydroxyphenyl)-4-oxobutanoicacid, 4-(3-Hydroxyphenyl)-4-oxobutyric acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 56872-07-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C(=O)CCC(=O)O |
| InChIKey | RBRZHQLWTDIFSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Hydroxyphenyl)-4-oxobutanoic acid (CAS 56872-07-2), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 4-(3-hydroxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid
Property Insights of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroxyphenyl)-4-oxobutanoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Hydroxyphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Hydroxyphenyl)-4-oxobutanoic acid 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 4-(3-Hydroxyphenyl)-4-oxobutanoic acid?
The CAS number of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid is 56872-07-2.
What is the molecular formula of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid?
The molecular formula of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid is C10H10O4.
What is the molecular weight of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid?
The molecular weight of 4-(3-Hydroxyphenyl)-4-oxobutanoic acid is 194.06 g/mol.
Where can I buy 4-(3-Hydroxyphenyl)-4-oxobutanoic acid?
You can request a quote for 4-(3-Hydroxyphenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Hydroxyphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Hydroxyphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.