![1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- structure](/static/products/202/202118-31-8.png)
1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-
TL;DR: 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- (CAS 202118-31-8) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-1,2,4-triazol-5-yliminomethyl)benzene-1,2-diol
Also Known As: 1,2-BENZENEDIOL, 4-[(1H-1,2,4-TRIAZOL-3-YLIMINO)METHYL]-, 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- (9CI)
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 0.9665 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.06473 |
| Heavy Atoms | 15 |
| Complexity | 478.8625 |
Chemical Identifiers
| CAS Number | 202118-31-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=NC2=NC=NN2)O)O |
Product Overview
1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- (CAS 202118-31-8), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: 4-(1H-1,2,4-triazol-5-yliminomethyl)benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-
Property Insights of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-
The XLogP value of 0.9665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- 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 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-?
The CAS number of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- is 202118-31-8.
What is the molecular formula of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-?
The molecular formula of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- is C9H8N4O2.
What is the molecular weight of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-?
The molecular weight of 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- is 204.06 g/mol.
Where can I buy 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-?
You can request a quote for 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 4-[(1H-1,2,4-triazol-3-ylimino)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.