3-(4-Oxochromen-3-yl)prop-2-enoic acid
TL;DR: 3-(4-Oxochromen-3-yl)prop-2-enoic acid (CAS 55593-71-0) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-oxochromen-3-yl)prop-2-enoic acid
Also Known As: chromone-3-acrylic acid, 3-(4-oxochromen-3-yl)prop-2-enoic acid, (E)-3-(4-oxo-4H-chromen-3-yl)-2-propenoic acid, (E)-3-(4-oxo-4H-chromen-3-yl)acrylic acid, (2E)-3-(4-oxochromen-3-yl)prop-2-enoic acid
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 55593-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=CC(=O)O |
| InChIKey | JTKDMUFCCJDYLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Oxochromen-3-yl)prop-2-enoic acid (CAS 55593-71-0), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: 3-(4-oxochromen-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-Oxochromen-3-yl)prop-2-enoic acid
Property Insights of 3-(4-Oxochromen-3-yl)prop-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Oxochromen-3-yl)prop-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Oxochromen-3-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(4-Oxochromen-3-yl)prop-2-enoic acid has 1 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-(4-Oxochromen-3-yl)prop-2-enoic acid?
The CAS number of 3-(4-Oxochromen-3-yl)prop-2-enoic acid is 55593-71-0.
What is the molecular formula of 3-(4-Oxochromen-3-yl)prop-2-enoic acid?
The molecular formula of 3-(4-Oxochromen-3-yl)prop-2-enoic acid is C12H8O4.
What is the molecular weight of 3-(4-Oxochromen-3-yl)prop-2-enoic acid?
The molecular weight of 3-(4-Oxochromen-3-yl)prop-2-enoic acid is 216.04 g/mol.
Where can I buy 3-(4-Oxochromen-3-yl)prop-2-enoic acid?
You can request a quote for 3-(4-Oxochromen-3-yl)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-(4-Oxochromen-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Oxochromen-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.