5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid
TL;DR: 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid (CAS 332129-08-5) is a chemical compound with molecular formula C15H11NO6 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: BAS 01169847, 5-(3-Furan-2-yl-acryloylamino)-isophthalic acid, (E)-5-(3-(furan-2-yl)acrylamido)isophthalic acid, 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid, 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid
| Molecular Formula | C15H11NO6 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.05862 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 332129-08-5 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | HVEHCGNRTORXBR-ONEGZZNKSA-N |
Product Overview
5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid (CAS 332129-08-5), with molecular formula C15H11NO6 and molecular weight 301.06 g/mol. IUPAC: 5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid
Property Insights of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 6 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 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid?
The CAS number of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid is 332129-08-5.
What is the molecular formula of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid is C15H11NO6.
What is the molecular weight of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid is 301.06 g/mol.
Where can I buy 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((2E)-3-(2-furyl)prop-2-enoylamino)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.