6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol
TL;DR: 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol (CAS 342783-70-4) is a chemical compound with molecular formula C9H9N5O4 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-hydroxy-3-(2-nitrophenyl)-2H-1,2,4-triazin-5-ol
Also Known As: AF-407/13078018, 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol, 6-amino-1-hydroxy-3-(2-nitrophenyl)-2H-1,2,4-triazin-5-ol, 1,2,4-Triazin-5-ol, 6-amino-1,2-dihydro-1-hydroxy-3-(2-nitrophenyl)- (9CI)
| Molecular Formula | C9H9N5O4 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 0.1941 |
| Topological Polar Surface Area | 137.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.06546 |
| Heavy Atoms | 18 |
| Complexity | 567.83136 |
Chemical Identifiers
| CAS Number | 342783-70-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=C(N(N2)O)N)O)[N+](=O)[O-] |
Product Overview
6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol (CAS 342783-70-4), with molecular formula C9H9N5O4 and molecular weight 251.07 g/mol. IUPAC: 6-amino-1-hydroxy-3-(2-nitrophenyl)-2H-1,2,4-triazin-5-ol.
Chemical Property Profile of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol
Property Insights of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol
The XLogP value of 0.1941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol. The TPSA of 137.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol. Following Lipinski's Rule of Five, 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol has 4 hydrogen bond donor(s) and 8 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 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol?
The CAS number of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol is 342783-70-4.
What is the molecular formula of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol?
The molecular formula of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol is C9H9N5O4.
What is the molecular weight of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol?
The molecular weight of 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol is 251.07 g/mol.
Where can I buy 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol?
You can request a quote for 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-3-{2-nitrophenyl}-1,2,4-triazine-1,5(4H)-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.