4-(2-Amino-4-nitroanilino)phenol
TL;DR: 4-(2-Amino-4-nitroanilino)phenol (CAS 77806-34-9) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-amino-4-nitroanilino)phenol
Also Known As: Hit compound, 12, 4-(2-amino-4-nitroanilino)phenol, Phenol,4-[(2-amino-4-nitrophenyl)amino]-
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 2.6262 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 581.6215 |
Chemical Identifiers
| CAS Number | 77806-34-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])N)O |
Product Overview
4-(2-Amino-4-nitroanilino)phenol (CAS 77806-34-9), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 4-(2-amino-4-nitroanilino)phenol.
Chemical Property Profile of 4-(2-Amino-4-nitroanilino)phenol
Property Insights of 4-(2-Amino-4-nitroanilino)phenol
The XLogP value of 2.6262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Amino-4-nitroanilino)phenol. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Amino-4-nitroanilino)phenol. Following Lipinski's Rule of Five, 4-(2-Amino-4-nitroanilino)phenol 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
Frequently Asked Questions
What is the CAS number of 4-(2-Amino-4-nitroanilino)phenol?
The CAS number of 4-(2-Amino-4-nitroanilino)phenol is 77806-34-9.
What is the molecular formula of 4-(2-Amino-4-nitroanilino)phenol?
The molecular formula of 4-(2-Amino-4-nitroanilino)phenol is C12H11N3O3.
What is the molecular weight of 4-(2-Amino-4-nitroanilino)phenol?
The molecular weight of 4-(2-Amino-4-nitroanilino)phenol is 245.08 g/mol.
Where can I buy 4-(2-Amino-4-nitroanilino)phenol?
You can request a quote for 4-(2-Amino-4-nitroanilino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Amino-4-nitroanilino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Amino-4-nitroanilino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.