![5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid structure](/static/products/6089/6089-03-8.webp)
5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid
TL;DR: 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid (CAS 6089-03-8) 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-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-[(phenylacetyl)amino]isophthalic acid, BIM-0045052.P001, 5-[(phenylacetyl)amino]benzene-1,3-dicarboxylic acid, 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid, 5-(2-PHENYLACETAMIDO)BENZENE-1,3-DICARBOXYLIC ACID
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.2642 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 692.321 |
Chemical Identifiers
| CAS Number | 6089-03-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid (CAS 6089-03-8), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid
Property Insights of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid
The XLogP value of 2.2642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid has 3 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 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
The CAS number of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid is 6089-03-8.
What is the molecular formula of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
The molecular formula of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid is C16H13NO5.
What is the molecular weight of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
The molecular weight of 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid is 299.08 g/mol.
Where can I buy 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
You can request a quote for 5-[(Phenylacetyl)amino]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-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Phenylacetyl)amino]benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.