2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol
TL;DR: 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol (CAS 35546-56-6) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol
Also Known As: 2-nitro-6-[- methyl]phenol, Phenol,2-nitro-6-[(4H-1,2,4-triazol-4-ylimino)methyl]-
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 35546-56-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=NN2C=NN=C2 |
| InChIKey | GLFABWHYADZKJE-UHFFFAOYSA-N |
Product Overview
2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol (CAS 35546-56-6), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: 2-nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol.
Chemical Property Profile of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol
Property Insights of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol. Following Lipinski's Rule of Five, 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol has 1 hydrogen bond donor(s) and 6 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-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol?
The CAS number of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol is 35546-56-6.
What is the molecular formula of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol?
The molecular formula of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol is C9H7N5O3.
What is the molecular weight of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol?
The molecular weight of 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol is 233.05 g/mol.
Where can I buy 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol?
You can request a quote for 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-6-(1,2,4-triazol-4-yliminomethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.