1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-
TL;DR: 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- (CAS 66131-65-5) is a chemical compound with molecular formula C20H15NO4 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-phenylanilino)benzene-1,3-dicarboxylic acid
Also Known As: 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-, 2-(N-phenylanilino)benzene-1,3-dicarboxylic acid, BIM-0004735.P001, 1,3-Benzenedicarboxylic acid,2-(diphenylamino), 2-(DIPHENYLAMINO)BENZENE-1,3-DICARBOXYLIC ACID
| Molecular Formula | C20H15NO4 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 4.5528 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.1001 |
| Heavy Atoms | 25 |
| Complexity | 835.74396 |
Chemical Identifiers
| CAS Number | 66131-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C=CC=C3C(=O)O)C(=O)O |
Product Overview
1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- (CAS 66131-65-5), with molecular formula C20H15NO4 and molecular weight 333.10 g/mol. IUPAC: 2-(N-phenylanilino)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-
Property Insights of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-
The XLogP value of 4.5528 indicates that 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- has 2 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 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-?
The CAS number of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- is 66131-65-5.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-?
The molecular formula of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- is C20H15NO4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-?
The molecular weight of 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- is 333.10 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-?
You can request a quote for 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 2-(diphenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.