C21H20N8O3S
TL;DR: C21H20N8O3S (CAS 861644-33-9) is a chemical compound with molecular formula C21H20N8O3S and molecular weight 464.14 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)-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-methoxybenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H20N8O3S |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 2.60572 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.1379 |
| Heavy Atoms | 33 |
| Complexity | 1265.6691 |
Chemical Identifiers
| CAS Number | 861644-33-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)OC |
Product Overview
C21H20N8O3S (CAS 861644-33-9), with molecular formula C21H20N8O3S and molecular weight 464.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C21H20N8O3S
Property Insights of C21H20N8O3S
The XLogP value of 2.60572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H20N8O3S. The TPSA of 146.34 Ų indicates high polarity, suggesting C21H20N8O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H20N8O3S 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 C21H20N8O3S?
The CAS number of C21H20N8O3S is 861644-33-9.
What is the molecular formula of C21H20N8O3S?
The molecular formula of C21H20N8O3S is C21H20N8O3S.
What is the molecular weight of C21H20N8O3S?
The molecular weight of C21H20N8O3S is 464.14 g/mol.
Where can I buy C21H20N8O3S?
You can request a quote for C21H20N8O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20N8O3S?
Yes, KEHONG BIO provides custom synthesis services for C21H20N8O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.