5-(Cinnamoylamino)isophthalic acid
TL;DR: 5-(Cinnamoylamino)isophthalic acid (CAS 925238-68-2) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[(E)-3-phenylprop-2-enoyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-cinnamamidoisophthalic acid, 5-(Cinnamoylamino)isophthalic acid, J1.758.352B, 5-{[(2E)-3-phenylprop-2-enoyl]amino}isophthalic acid, 5-[[(E)-3-phenylprop-2-enoyl]amino]benzene-1,3-dicarboxylic acid
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 925238-68-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | VEIUXPLIWZQBJT-VOTSOKGWSA-N |
Product Overview
5-(Cinnamoylamino)isophthalic acid (CAS 925238-68-2), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: 5-[[(E)-3-phenylprop-2-enoyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(Cinnamoylamino)isophthalic acid
Property Insights of 5-(Cinnamoylamino)isophthalic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Cinnamoylamino)isophthalic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Cinnamoylamino)isophthalic acid. Following Lipinski's Rule of Five, 5-(Cinnamoylamino)isophthalic acid has 3 hydrogen bond donor(s) and 5 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-(Cinnamoylamino)isophthalic acid?
The CAS number of 5-(Cinnamoylamino)isophthalic acid is 925238-68-2.
What is the molecular formula of 5-(Cinnamoylamino)isophthalic acid?
The molecular formula of 5-(Cinnamoylamino)isophthalic acid is C17H13NO5.
What is the molecular weight of 5-(Cinnamoylamino)isophthalic acid?
The molecular weight of 5-(Cinnamoylamino)isophthalic acid is 311.08 g/mol.
Where can I buy 5-(Cinnamoylamino)isophthalic acid?
You can request a quote for 5-(Cinnamoylamino)isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Cinnamoylamino)isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Cinnamoylamino)isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.