![4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid structure](/static/products/5010/501095-47-2.webp)
4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid
TL;DR: 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid (CAS 501095-47-2) 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-[(2,5-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
Also Known As: 4-[(2,5-dimethylanilino)carbonyl]isophthalic acid, AP-263/43412670, 4-[(2,5-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 501095-47-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O |
| InChIKey | KJNVFELDRJJGMQ-UHFFFAOYSA-N |
Product Overview
4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid (CAS 501095-47-2), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid
Property Insights of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid. Following Lipinski's Rule of Five, 4-[(2,5-Dimethylanilino)carbonyl]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 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid?
The CAS number of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid is 501095-47-2.
What is the molecular formula of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid?
The molecular formula of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid is C17H15NO5.
What is the molecular weight of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid?
The molecular weight of 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid is 313.10 g/mol.
Where can I buy 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid?
You can request a quote for 4-[(2,5-Dimethylanilino)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-[(2,5-Dimethylanilino)carbonyl]isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,5-Dimethylanilino)carbonyl]isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.