![4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid structure](/static/products/853/853889-49-3.png)
4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid
TL;DR: 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid (CAS 853889-49-3) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
Also Known As: (E)-4-(3-(5-methylfuran-2-yl)acrylamido)benzoic acid, 4-[3-(5-methyl-2-furyl)prop-2-enoylamino]benzoic Acid, 4-[(2E)-3-(5-methyl(2-furyl))prop-2-enoylamino]benzoic acid, 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid, 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.93812 |
| Topological Polar Surface Area | 79.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 652.76794 |
Chemical Identifiers
| CAS Number | 853889-49-3 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid (CAS 853889-49-3), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid
Property Insights of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid
The XLogP value of 2.93812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid. The TPSA of 79.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid?
The CAS number of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid is 853889-49-3.
What is the molecular formula of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid?
The molecular formula of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid is C15H13NO4.
What is the molecular weight of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid?
The molecular weight of 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid is 271.08 g/mol.
Where can I buy 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid?
You can request a quote for 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.