C19H18N8O5S
TL;DR: C19H18N8O5S (CAS 861628-90-2) is a chemical compound with molecular formula C19H18N8O5S and molecular weight 470.11 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-thiophen-2-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-N'-(3,4,5-trimethoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H18N8O5S |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 1.7507 |
| Topological Polar Surface Area | 164.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.1121 |
| Heavy Atoms | 33 |
| Complexity | 1272.5034 |
Chemical Identifiers
| CAS Number | 861628-90-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4 |
Product Overview
C19H18N8O5S (CAS 861628-90-2), with molecular formula C19H18N8O5S and molecular weight 470.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C19H18N8O5S
Property Insights of C19H18N8O5S
The XLogP value of 1.7507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H18N8O5S. The TPSA of 164.8 Ų indicates high polarity, suggesting C19H18N8O5S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H18N8O5S has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H18N8O5S?
The CAS number of C19H18N8O5S is 861628-90-2.
What is the molecular formula of C19H18N8O5S?
The molecular formula of C19H18N8O5S is C19H18N8O5S.
What is the molecular weight of C19H18N8O5S?
The molecular weight of C19H18N8O5S is 470.11 g/mol.
Where can I buy C19H18N8O5S?
You can request a quote for C19H18N8O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H18N8O5S?
Yes, KEHONG BIO provides custom synthesis services for C19H18N8O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.