2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
TL;DR: 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol (CAS 92400-99-2) is a chemical compound with molecular formula C9H7ClN4O and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
Also Known As: 2-chloro-6-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol
| Molecular Formula | C9H7ClN4O |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.9143 |
| Topological Polar Surface Area | 74.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03084 |
| Heavy Atoms | 15 |
| Complexity | 480.8625 |
Chemical Identifiers
| CAS Number | 92400-99-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)O)C=NC2=NC=NN2 |
Product Overview
2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol (CAS 92400-99-2), with molecular formula C9H7ClN4O and molecular weight 222.03 g/mol. IUPAC: 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol.
Chemical Property Profile of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
Property Insights of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
The XLogP value of 1.9143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol. The TPSA of 74.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol. Following Lipinski's Rule of Five, 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol has 2 hydrogen bond donor(s) and 4 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-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The CAS number of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol is 92400-99-2.
What is the molecular formula of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The molecular formula of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol is C9H7ClN4O.
What is the molecular weight of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
The molecular weight of 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol is 222.03 g/mol.
Where can I buy 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
You can request a quote for 2-chloro-6-(1H-1,2,4-triazol-5-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-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.