![Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- structure](/static/products/156/1566-82-1.webp)
Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-
TL;DR: Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- (CAS 1566-82-1) is a chemical compound with molecular formula C14H11N3O5 and molecular weight 301.0699 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-nitrophenyl)carbamoylamino]benzoic acid
Also Known As: 2-[(4-nitrophenyl)carbamoylamino]benzoic Acid, N-p-Nitrophenyl-N'-o-carboxyphenyl-harnstoff, Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-, 2-{[(4-NITROPHENYL)CARBAMOYL]AMINO}BENZOIC ACID
Technical Specifications
| Molecular Formula | C14H11N3O5 |
| Molecular Weight | 301.0699 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0699 Da |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DMUIQBFHSGYVGR-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-
Property Insights of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-
The XLogP value of 3.1 indicates that Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- 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
What is the CAS number of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-?
The CAS number of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- is 1566-82-1.
What is the molecular formula of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-?
The molecular formula of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- is C14H11N3O5.
What is the molecular weight of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-?
The molecular weight of Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- is 301.0699 g/mol.
Where can I buy Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-?
You can request a quote for Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.