C18H19N11O3S
TL;DR: C18H19N11O3S (CAS 849033-75-6) is a chemical compound with molecular formula C18H19N11O3S and molecular weight 469.14 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)-1-(3-methoxyphenyl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(3-methoxyphenyl)ethylidene)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C18H19N11O3S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 0.8159 |
| Topological Polar Surface Area | 177.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.1393 |
| Heavy Atoms | 33 |
| Complexity | 1309.4613 |
Chemical Identifiers
| CAS Number | 849033-75-6 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)/C4=CC(=CC=C4)OC |
Product Overview
C18H19N11O3S (CAS 849033-75-6), with molecular formula C18H19N11O3S and molecular weight 469.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C18H19N11O3S
Property Insights of C18H19N11O3S
The XLogP value of 0.8159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H19N11O3S. The TPSA of 177.05 Ų indicates high polarity, suggesting C18H19N11O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H19N11O3S 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 C18H19N11O3S?
The CAS number of C18H19N11O3S is 849033-75-6.
What is the molecular formula of C18H19N11O3S?
The molecular formula of C18H19N11O3S is C18H19N11O3S.
What is the molecular weight of C18H19N11O3S?
The molecular weight of C18H19N11O3S is 469.14 g/mol.
Where can I buy C18H19N11O3S?
You can request a quote for C18H19N11O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H19N11O3S?
Yes, KEHONG BIO provides custom synthesis services for C18H19N11O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.