![2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid structure](/static/products/959/95980-68-0.png)
2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid
TL;DR: 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid (CAS 95980-68-0) is a chemical compound with molecular formula C14H10N4O7 and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dinitroanilino)carbamoyl]benzoic acid
Also Known As: NCIOpen2_009396, 2-[(2,4-dinitroanilino)carbamoyl]benzoic acid, AN-329/40071434, 2-{[2-(2,4-dinitrophenyl)hydrazino]carbonyl}benzoic acid, 2-{N-[(2,4-dinitrophenyl)amino]carbamoyl}benzoic acid
| Molecular Formula | C14H10N4O7 |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 1.9581 |
| Topological Polar Surface Area | 164.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.05496 |
| Heavy Atoms | 25 |
| Complexity | 881.234 |
Chemical Identifiers
| CAS Number | 95980-68-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Product Overview
2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid (CAS 95980-68-0), with molecular formula C14H10N4O7 and molecular weight 346.05 g/mol. IUPAC: 2-[(2,4-dinitroanilino)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid
Property Insights of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid
The XLogP value of 1.9581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid. The TPSA of 164.71 Ų indicates high polarity, suggesting 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid has 3 hydrogen bond donor(s) and 7 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 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid?
The CAS number of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid is 95980-68-0.
What is the molecular formula of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid?
The molecular formula of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid is C14H10N4O7.
What is the molecular weight of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid?
The molecular weight of 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid is 346.05 g/mol.
Where can I buy 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid?
You can request a quote for 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dinitroanilino)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.