![4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid structure](/static/products/446/446308-78-7.png)
4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid
TL;DR: 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid (CAS 446308-78-7) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid
Also Known As: 4-{[(2-phenylethyl)amino]carbonyl}isophthalic acid, 4-(phenethylcarbamoyl)benzene-1,3-dicarboxylic Acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.0555 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 739.9039 |
Chemical Identifiers
| CAS Number | 446308-78-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O |
Product Overview
4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid (CAS 446308-78-7), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 4-(2-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid
Property Insights of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid
The XLogP value of 2.0555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid. Following Lipinski's Rule of Five, 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic 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 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid?
The CAS number of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid is 446308-78-7.
What is the molecular formula of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid?
The molecular formula of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid is C17H15NO5.
What is the molecular weight of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid?
The molecular weight of 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid is 313.10 g/mol.
Where can I buy 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid?
You can request a quote for 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2-Phenylethyl)amino]carbonyl}isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.