![3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid structure](/static/products/5826/5826-28-8.webp)
3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid
TL;DR: 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid (CAS 5826-28-8) is a chemical compound with molecular formula C16H15NO4 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
Also Known As: 3-{3-[(2,5-dimethyl-3-furoyl)amino]phenyl}acrylic acid, A2058/0086576, (E)-3-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid, (2E)-3-[3-(2,5-DIMETHYLFURAN-3-AMIDO)PHENYL]PROP-2-ENOIC ACID, (2E)-3-[3-(2,5-Dimethylfuran-3-carboxamido)phenyl]prop-2-enoic acid
| Molecular Formula | C16H15NO4 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1001 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 5826-28-8 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O |
| InChIKey | LEBFXWUDMPQXCH-VOTSOKGWSA-N |
Product Overview
3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid (CAS 5826-28-8), with molecular formula C16H15NO4 and molecular weight 285.10 g/mol. IUPAC: (E)-3-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid
Property Insights of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid. Following Lipinski's Rule of Five, 3-{3-[(2,5-Dimethyl-3-furoyl)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-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid?
The CAS number of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid is 5826-28-8.
What is the molecular formula of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid?
The molecular formula of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid is C16H15NO4.
What is the molecular weight of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid?
The molecular weight of 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid is 285.10 g/mol.
Where can I buy 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid?
You can request a quote for 3-{3-[(2,5-Dimethyl-3-furoyl)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-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.