N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid
TL;DR: N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid (CAS 108605-70-5) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]benzoic acid
Also Known As: Avenanthramide A, N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid, 5-hydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]benzoic acid
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 108605-70-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)O)C(=O)O)O |
| InChIKey | QGUMNWHANDITDB-UHFFFAOYSA-N |
Product Overview
N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid (CAS 108605-70-5), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 5-hydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoylamino]benzoic acid.
Chemical Property Profile of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid
Property Insights of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid. Following Lipinski's Rule of Five, N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid has 4 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 N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid?
The CAS number of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid is 108605-70-5.
What is the molecular formula of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid?
The molecular formula of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid is C16H13NO5.
What is the molecular weight of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid?
The molecular weight of N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid is 299.08 g/mol.
Where can I buy N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid?
You can request a quote for N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-hydroxycinnamoyl)-5-hydroxyanthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.