alpha-Ethyl-4-hydroxybenzeneacetic acid
TL;DR: alpha-Ethyl-4-hydroxybenzeneacetic acid (CAS 29644-98-2) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyphenyl)butanoic acid
Also Known As: 2-(4-hydroxyphenyl)butanoic acid, 2-(p-Hydroxyphenyl)butyric acid, p-hydroxyphenylbutyric acid, 4-hydroxyphenylbutyric acid, ethyl 4-hydroxyphenylacetic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 29644-98-2 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(=O)O |
| InChIKey | GEQWCUVIQMRCAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Ethyl-4-hydroxybenzeneacetic acid (CAS 29644-98-2), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-(4-hydroxyphenyl)butanoic acid.
Chemical Property Profile of alpha-Ethyl-4-hydroxybenzeneacetic acid
Property Insights of alpha-Ethyl-4-hydroxybenzeneacetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethyl-4-hydroxybenzeneacetic acid. With a topological polar surface area (TPSA) of 57.5 Ų, alpha-Ethyl-4-hydroxybenzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethyl-4-hydroxybenzeneacetic acid has 2 hydrogen bond donor(s) and 3 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 alpha-Ethyl-4-hydroxybenzeneacetic acid?
The CAS number of alpha-Ethyl-4-hydroxybenzeneacetic acid is 29644-98-2.
What is the molecular formula of alpha-Ethyl-4-hydroxybenzeneacetic acid?
The molecular formula of alpha-Ethyl-4-hydroxybenzeneacetic acid is C10H12O3.
What is the molecular weight of alpha-Ethyl-4-hydroxybenzeneacetic acid?
The molecular weight of alpha-Ethyl-4-hydroxybenzeneacetic acid is 180.08 g/mol.
Where can I buy alpha-Ethyl-4-hydroxybenzeneacetic acid?
You can request a quote for alpha-Ethyl-4-hydroxybenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethyl-4-hydroxybenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethyl-4-hydroxybenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.