1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone (CAS 727386-89-2) is a chemical compound with molecular formula C15H17N5O4S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone
Also Known As: 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone, 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone, 2-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}-1-(morpholin-4-yl)ethanone
| Molecular Formula | C15H17N5O4S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 1.50472 |
| Topological Polar Surface Area | 103.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.10013 |
| Heavy Atoms | 25 |
| Complexity | 770.72894 |
Chemical Identifiers
| CAS Number | 727386-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)N3CCOCC3)[N+](=O)[O-] |
Product Overview
1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone (CAS 727386-89-2), with molecular formula C15H17N5O4S and molecular weight 363.10 g/mol. IUPAC: 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone
The XLogP value of 1.50472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone. The TPSA of 103.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone has 0 hydrogen bond donor(s) and 7 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-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone is 727386-89-2.
What is the molecular formula of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone is C15H17N5O4S.
What is the molecular weight of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone is 363.10 g/mol.
Where can I buy 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-morpholino-2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.