4'-Nitrophthalanilic acid
TL;DR: 4'-Nitrophthalanilic acid (CAS 104199-15-7) is a chemical compound with molecular formula C14H10N2O5 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)carbamoyl]benzoic acid
Also Known As: 4'-Nitrophthalanilic acid, 2-[(4-nitrophenyl)carbamoyl]benzoic acid, [8-14C]octanoic acid, Phthalanilic acid, 4'-nitro-, 2-((4-Nitrophenyl)carbamoyl)benzoic acid
| Molecular Formula | C14H10N2O5 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05896 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 104199-15-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | HTQXIEKIBOJPHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Nitrophthalanilic acid (CAS 104199-15-7), with molecular formula C14H10N2O5 and molecular weight 286.06 g/mol. IUPAC: 2-[(4-nitrophenyl)carbamoyl]benzoic acid.
Chemical Property Profile of 4'-Nitrophthalanilic acid
Property Insights of 4'-Nitrophthalanilic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Nitrophthalanilic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Nitrophthalanilic acid. Following Lipinski's Rule of Five, 4'-Nitrophthalanilic 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
Frequently Asked Questions
What is the CAS number of 4'-Nitrophthalanilic acid?
The CAS number of 4'-Nitrophthalanilic acid is 104199-15-7.
What is the molecular formula of 4'-Nitrophthalanilic acid?
The molecular formula of 4'-Nitrophthalanilic acid is C14H10N2O5.
What is the molecular weight of 4'-Nitrophthalanilic acid?
The molecular weight of 4'-Nitrophthalanilic acid is 286.06 g/mol.
Where can I buy 4'-Nitrophthalanilic acid?
You can request a quote for 4'-Nitrophthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Nitrophthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Nitrophthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.