(2-Nitroanilino) benzoate
TL;DR: (2-Nitroanilino) benzoate (CAS 127526-86-7) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitroanilino) benzoate
Also Known As: (2-nitroanilino) benzoate, (2-nitrophenyl)amino benzoate, 1-[(benzoyloxy)amino]-2-nitrobenzene, N-(Benzoyloxy)-2-nitrobenzenamine, J1.729.608F
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.7787 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 598.60205 |
Chemical Identifiers
| CAS Number | 127526-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)ONC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
(2-Nitroanilino) benzoate (CAS 127526-86-7), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: (2-nitroanilino) benzoate.
Chemical Property Profile of (2-Nitroanilino) benzoate
Property Insights of (2-Nitroanilino) benzoate
The XLogP value of 2.7787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitroanilino) benzoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitroanilino) benzoate. Following Lipinski's Rule of Five, (2-Nitroanilino) benzoate has 1 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 (2-Nitroanilino) benzoate?
The CAS number of (2-Nitroanilino) benzoate is 127526-86-7.
What is the molecular formula of (2-Nitroanilino) benzoate?
The molecular formula of (2-Nitroanilino) benzoate is C13H10N2O4.
What is the molecular weight of (2-Nitroanilino) benzoate?
The molecular weight of (2-Nitroanilino) benzoate is 258.06 g/mol.
Where can I buy (2-Nitroanilino) benzoate?
You can request a quote for (2-Nitroanilino) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitroanilino) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitroanilino) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.