C19H18N8O2S2
TL;DR: C19H18N8O2S2 (CAS 862185-23-7) is a chemical compound with molecular formula C19H18N8O2S2 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H18N8O2S2 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 2.96704 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.09943 |
| Heavy Atoms | 31 |
| Complexity | 1226.0099 |
Chemical Identifiers
| CAS Number | 862185-23-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CS4)C |
Product Overview
C19H18N8O2S2 (CAS 862185-23-7), with molecular formula C19H18N8O2S2 and molecular weight 454.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylphenyl)sulfanylmethyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C19H18N8O2S2
Property Insights of C19H18N8O2S2
The XLogP value of 2.96704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H18N8O2S2. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H18N8O2S2. Following Lipinski's Rule of Five, C19H18N8O2S2 has 2 hydrogen bond donor(s) and 10 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 C19H18N8O2S2?
The CAS number of C19H18N8O2S2 is 862185-23-7.
What is the molecular formula of C19H18N8O2S2?
The molecular formula of C19H18N8O2S2 is C19H18N8O2S2.
What is the molecular weight of C19H18N8O2S2?
The molecular weight of C19H18N8O2S2 is 454.10 g/mol.
Where can I buy C19H18N8O2S2?
You can request a quote for C19H18N8O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18N8O2S2?
Yes, KEHONG BIO provides custom synthesis services for C19H18N8O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.