3-(2,6-dihydroxyphenyl)propanoic Acid
TL;DR: 3-(2,6-dihydroxyphenyl)propanoic Acid (CAS 98114-50-2) 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-(2,6-dihydroxyphenyl)propanoic acid
Also Known As: 3-(2,6-dihydroxyphenyl)propanoic Acid, 2,6-dihydroxyBenzenepropanoic acid
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.0 |
| 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 | 170.0 |
Chemical Identifiers
| CAS Number | 98114-50-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)CCC(=O)O)O |
| InChIKey | VMKIFJTZFHMPTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,6-dihydroxyphenyl)propanoic Acid (CAS 98114-50-2), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 3-(2,6-dihydroxyphenyl)propanoic acid.
Chemical Property Profile of 3-(2,6-dihydroxyphenyl)propanoic Acid
Property Insights of 3-(2,6-dihydroxyphenyl)propanoic Acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,6-dihydroxyphenyl)propanoic Acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,6-dihydroxyphenyl)propanoic Acid. Following Lipinski's Rule of Five, 3-(2,6-dihydroxyphenyl)propanoic 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 3-(2,6-dihydroxyphenyl)propanoic Acid?
The CAS number of 3-(2,6-dihydroxyphenyl)propanoic Acid is 98114-50-2.
What is the molecular formula of 3-(2,6-dihydroxyphenyl)propanoic Acid?
The molecular formula of 3-(2,6-dihydroxyphenyl)propanoic Acid is C9H10O4.
What is the molecular weight of 3-(2,6-dihydroxyphenyl)propanoic Acid?
The molecular weight of 3-(2,6-dihydroxyphenyl)propanoic Acid is 182.06 g/mol.
Where can I buy 3-(2,6-dihydroxyphenyl)propanoic Acid?
You can request a quote for 3-(2,6-dihydroxyphenyl)propanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-dihydroxyphenyl)propanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-dihydroxyphenyl)propanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.