![3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid structure](/static/products/859/859140-68-4.png)
3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid
TL;DR: 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid (CAS 859140-68-4) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(2-oxochromen-4-yl)amino]phenyl]prop-2-enoic acid
Also Known As: 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid, AT-057/42979621, 3-[3-[(2-oxochromen-4-yl)amino]phenyl]prop-2-enoic Acid, (E)-3-(3-((2-oxo-2H-chromen-4-yl)amino)phenyl)acrylic acid, (E)-3-[3-[(2-oxochromen-4-yl)amino]phenyl]prop-2-enoic acid
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.6344 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 956.3929 |
Chemical Identifiers
| CAS Number | 859140-68-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)NC3=CC=CC(=C3)/C=C/C(=O)O |
Product Overview
3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid (CAS 859140-68-4), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: (E)-3-[3-[(2-oxochromen-4-yl)amino]phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid
Property Insights of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid
The XLogP value of 3.6344 indicates that 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid. Following Lipinski's Rule of Five, 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic 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-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid?
The CAS number of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid is 859140-68-4.
What is the molecular formula of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid?
The molecular formula of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid is C18H13NO4.
What is the molecular weight of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid?
The molecular weight of 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid is 307.08 g/mol.
Where can I buy 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid?
You can request a quote for 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic 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-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(2-oxo-2H-chromen-4-yl)amino]phenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.