3-Nitro-4-(4-toluidino)benzoic acid
TL;DR: 3-Nitro-4-(4-toluidino)benzoic acid (CAS 148304-21-6) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methylanilino)-3-nitrobenzoic acid
Also Known As: 3-Nitro-4-(p-tolylamino)benzoic acid, 3-NITRO-4-(4-TOLUIDINO)BENZOIC ACID, 4-[(4-methylphenyl)amino]-3-nitrobenzoic acid, 4-(4-methylanilino)-3-nitrobenzoic acid, 3-Nitro-4-(p-tolylamino)benzoicacid
Technical Specifications
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.0797 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 Da |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
| SMILES | CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | FHXZADBHAALLDO-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-4-(4-toluidino)benzoic acid
Property Insights of 3-Nitro-4-(4-toluidino)benzoic acid
The XLogP value of 3.7 indicates that 3-Nitro-4-(4-toluidino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(4-toluidino)benzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-(4-toluidino)benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Nitro-4-(4-toluidino)benzoic acid?
The CAS number of 3-Nitro-4-(4-toluidino)benzoic acid is 148304-21-6.
What is the molecular formula of 3-Nitro-4-(4-toluidino)benzoic acid?
The molecular formula of 3-Nitro-4-(4-toluidino)benzoic acid is C14H12N2O4.
What is the molecular weight of 3-Nitro-4-(4-toluidino)benzoic acid?
The molecular weight of 3-Nitro-4-(4-toluidino)benzoic acid is 272.0797 g/mol.
Where can I buy 3-Nitro-4-(4-toluidino)benzoic acid?
You can request a quote for 3-Nitro-4-(4-toluidino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-4-(4-toluidino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-4-(4-toluidino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.