3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol
TL;DR: 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol (CAS 799818-95-4) is a chemical compound with molecular formula C12H9N5O7 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-amino-2,4,6-trinitroanilino)phenol
Also Known As: 3-(3-amino-2,4,6-trinitroanilino)phenol, 3-((3-amino-2,4,6-trinitrophenyl)amino)phenol, 3-[(3-amino-2,4,6-trinitrophenyl)amino]phenol, 3-[(3-amino-2,4,6-trinitro-phenyl)amino]phenol
| Molecular Formula | C12H9N5O7 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 2.4426 |
| Topological Polar Surface Area | 187.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0502 |
| Heavy Atoms | 24 |
| Complexity | 867.1155 |
Chemical Identifiers
| CAS Number | 799818-95-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)NC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol (CAS 799818-95-4), with molecular formula C12H9N5O7 and molecular weight 335.05 g/mol. IUPAC: 3-(3-amino-2,4,6-trinitroanilino)phenol.
Chemical Property Profile of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol
Property Insights of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol
The XLogP value of 2.4426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol. The TPSA of 187.7 Ų indicates high polarity, suggesting 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol has 3 hydrogen bond donor(s) and 9 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 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol?
The CAS number of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol is 799818-95-4.
What is the molecular formula of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol?
The molecular formula of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol is C12H9N5O7.
What is the molecular weight of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol?
The molecular weight of 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol is 335.05 g/mol.
Where can I buy 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol?
You can request a quote for 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Amino-2,4,6-trinitrophenyl)amino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.