4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid
TL;DR: 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid (CAS 325857-54-3) is a chemical compound with molecular formula C14H8Cl2N2O5 and molecular weight 353.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-[(4-nitrophenyl)carbamoyl]benzoic acid
Also Known As: BAS 00391064, 4,5-dichloro-2-({4-nitroanilino}carbonyl)benzoic acid, 4,5-dichloro-2-[(4-nitrophenyl)carbamoyl]benzoic acid, 4,5-Dichloro-N-(4-nitro-phenyl)-phthalamic acid, 4,5-dichloro-2-[N-(4-nitrophenyl)carbamoyl]benzoic acid
| Molecular Formula | C14H8Cl2N2O5 |
|---|---|
| Molecular Weight | 353.98 g/mol |
| LogP | 3.8521 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.98102 |
| Heavy Atoms | 23 |
| Complexity | 805.56006 |
Chemical Identifiers
| CAS Number | 325857-54-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2C(=O)O)Cl)Cl)[N+](=O)[O-] |
Product Overview
4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid (CAS 325857-54-3), with molecular formula C14H8Cl2N2O5 and molecular weight 353.98 g/mol. IUPAC: 4,5-dichloro-2-[(4-nitrophenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid
Property Insights of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid
The XLogP value of 3.8521 indicates that 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid. Following Lipinski's Rule of Five, 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid?
The CAS number of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid is 325857-54-3.
What is the molecular formula of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid?
The molecular formula of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid is C14H8Cl2N2O5.
What is the molecular weight of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid?
The molecular weight of 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid is 353.98 g/mol.
Where can I buy 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid?
You can request a quote for 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-({4-nitroanilino}carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.