3-chloro-5-methylsulfonyl-1H-1,2,4-triazole
TL;DR: 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole (CAS 346645-35-0) is a chemical compound with molecular formula C14H22N6O4 and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethylidene]amino]oxy-1-morpholin-4-ylethanone
Also Known As: 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole, 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethylidene]amino]oxy-1-morpholin-4-ylethanone, (4-AMINO-1,2,5-OXADIAZOL-3-YL)(PIPERIDIN-1-YL)METHANONE 1-MORPHOLINOCARBONYLMETHYL OXIME, 2-({[(4-Amino-1,2,5-oxadiazol-3-yl)(piperidin-1-yl)methylidene]amino}oxy)-1-(morpholin-4-yl)ethan-1-one, 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-(1-piperidyl)methylidene]amino]oxy-1-morpholin-4-yl-ethanone
| Molecular Formula | C14H22N6O4 |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | -0.3253 |
| Topological Polar Surface Area | 119.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.17026 |
| Heavy Atoms | 24 |
| Complexity | 577.5747 |
Chemical Identifiers
| CAS Number | 346645-35-0 |
|---|---|
| SMILES | C1CCN(CC1)C(=NOCC(=O)N2CCOCC2)C3=NON=C3N |
Product Overview
3-chloro-5-methylsulfonyl-1H-1,2,4-triazole (CAS 346645-35-0), with molecular formula C14H22N6O4 and molecular weight 338.17 g/mol. IUPAC: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethylidene]amino]oxy-1-morpholin-4-ylethanone.
Chemical Property Profile of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole
Property Insights of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole
The XLogP value of -0.3253 indicates that 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 8 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-chloro-5-methylsulfonyl-1H-1,2,4-triazole?
The CAS number of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole is 346645-35-0.
What is the molecular formula of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole?
The molecular formula of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole is C14H22N6O4.
What is the molecular weight of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole?
The molecular weight of 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole is 338.17 g/mol.
Where can I buy 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole?
You can request a quote for 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5-methylsulfonyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.