3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid
TL;DR: 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid (CAS 537-73-5) 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.
3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Also Known As: Isoferulic acid, 3-Hydroxy-4-methoxycinnamic acid, Hesperetic acid, trans-Isoferulic acid, HESPERETIN_met016
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 537-73-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)O |
| InChIKey | QURCVMIEKCOAJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid (CAS 537-73-5), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid
Property Insights of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic 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 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The CAS number of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid is 537-73-5.
What is the molecular formula of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid is C10H10O4.
What is the molecular weight of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid is 194.06 g/mol.
Where can I buy 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.