2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
TL;DR: 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 522642-25-7) is a chemical compound with molecular formula C8H13N5O2S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
Also Known As: CBKinase1_004943, CBKinase1_017343, 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone, VU0610953-1, F3328-0055
| Molecular Formula | C8H13N5O2S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | -0.6622 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.079 |
| Heavy Atoms | 16 |
| Complexity | 363.06558 |
Chemical Identifiers
| CAS Number | 522642-25-7 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NNC(=N2)N |
Product Overview
2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 522642-25-7), with molecular formula C8H13N5O2S and molecular weight 243.08 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
Property Insights of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
The XLogP value of -0.6622 indicates that 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone has 2 hydrogen bond donor(s) and 6 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-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The CAS number of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 522642-25-7.
What is the molecular formula of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular formula of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is C8H13N5O2S.
What is the molecular weight of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular weight of 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 243.08 g/mol.
Where can I buy 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
You can request a quote for 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.