![3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan structure](/static/products/215/215872-97-2.png)
3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan
TL;DR: 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan (CAS 215872-97-2) is a chemical compound with molecular formula C6H7N5O2 and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-oxido-4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazol-2-ium
Also Known As: 3-METHYL-4-[(1,2,4-TRIAZOL-1-YL)METHYL]FUROXAN, 3-methyl-2-oxido-4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazol-2-ium
| Molecular Formula | C6H7N5O2 |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05997 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 215872-97-2 |
|---|---|
| SMILES | CC1=[N+](ON=C1CN2C=NC=N2)[O-] |
| InChIKey | FLQLUWAZKFWISK-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan (CAS 215872-97-2), with molecular formula C6H7N5O2 and molecular weight 181.06 g/mol. IUPAC: 3-methyl-2-oxido-4-(1,2,4-triazol-1-ylmethyl)-1,2,5-oxadiazol-2-ium.
Chemical Property Profile of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan
Property Insights of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan. Following Lipinski's Rule of Five, 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan has 0 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 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan?
The CAS number of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan is 215872-97-2.
What is the molecular formula of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan?
The molecular formula of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan is C6H7N5O2.
What is the molecular weight of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan?
The molecular weight of 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan is 181.06 g/mol.
Where can I buy 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan?
You can request a quote for 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-[(1,2,4-triazol-1-YL)methyl]furoxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.