2,4-Dihydroxybenzenepropanoic acid
TL;DR: 2,4-Dihydroxybenzenepropanoic acid (CAS 5631-68-5) 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-(2,4-dihydroxyphenyl)propanoic acid
Also Known As: 3-(2,4-dihydroxyphenyl)propanoic acid, 3-(2,4-Dihydroxyphenyl)propionic acid, Hydroumbellic acid, 2,4-Dihydroxybenzenepropanoic acid, Benzenepropanoic acid, 2,4-dihydroxy-
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.2 |
| 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 | 180.0 |
Chemical Identifiers
| CAS Number | 5631-68-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)CCC(=O)O |
| InChIKey | HMCMTJPPXSGYJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dihydroxybenzenepropanoic acid (CAS 5631-68-5), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 3-(2,4-dihydroxyphenyl)propanoic acid.
Chemical Property Profile of 2,4-Dihydroxybenzenepropanoic acid
Property Insights of 2,4-Dihydroxybenzenepropanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydroxybenzenepropanoic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydroxybenzenepropanoic acid. Following Lipinski's Rule of Five, 2,4-Dihydroxybenzenepropanoic 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 2,4-Dihydroxybenzenepropanoic acid?
The CAS number of 2,4-Dihydroxybenzenepropanoic acid is 5631-68-5.
What is the molecular formula of 2,4-Dihydroxybenzenepropanoic acid?
The molecular formula of 2,4-Dihydroxybenzenepropanoic acid is C9H10O4.
What is the molecular weight of 2,4-Dihydroxybenzenepropanoic acid?
The molecular weight of 2,4-Dihydroxybenzenepropanoic acid is 182.06 g/mol.
Where can I buy 2,4-Dihydroxybenzenepropanoic acid?
You can request a quote for 2,4-Dihydroxybenzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydroxybenzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydroxybenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.