![3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole structure](/static/products/890/890095-43-9.png)
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
TL;DR: 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole (CAS 890095-43-9) is a chemical compound with molecular formula C6H6ClN5O and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
Also Known As: 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole, 3-(5-Chloromethyl-1H-[1,2,4]triazol-3-yl)-4-methyl-furazan, 3-[5-(chloromethyl)-1{H}-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole, 3-(5-(Chloromethyl)-1H-1,2,4-triazol-3-yl)-4-methyl-1,2,5-oxadiazole, 3-[5-(chloromethyl)(1H-1,2,4-triazol-3-yl)]-4-methyl-1,2,5-oxadiazole
| Molecular Formula | C6H6ClN5O |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 0.90192 |
| Topological Polar Surface Area | 80.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0261 |
| Heavy Atoms | 13 |
| Complexity | 408.57755 |
Chemical Identifiers
| CAS Number | 890095-43-9 |
|---|---|
| SMILES | CC1=NON=C1C2=NNC(=N2)CCl |
Product Overview
3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole (CAS 890095-43-9), with molecular formula C6H6ClN5O and molecular weight 199.03 g/mol. IUPAC: 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole.
Chemical Property Profile of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
Property Insights of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole
The XLogP value of 0.90192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole. The TPSA of 80.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole. Following Lipinski's Rule of Five, 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole has 1 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-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole?
The CAS number of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole is 890095-43-9.
What is the molecular formula of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole?
The molecular formula of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole is C6H6ClN5O.
What is the molecular weight of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole?
The molecular weight of 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole is 199.03 g/mol.
Where can I buy 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole?
You can request a quote for 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(chloromethyl)-1H-1,2,4-triazol-3-yl]-4-methyl-1,2,5-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.