C19H21N11O4S
TL;DR: C19H21N11O4S (CAS 862116-96-9) is a chemical compound with molecular formula C19H21N11O4S and molecular weight 499.15 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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H21N11O4S |
|---|---|
| Molecular Weight | 499.15 g/mol |
| LogP | 0.8245 |
| Topological Polar Surface Area | 186.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.14987 |
| Heavy Atoms | 35 |
| Complexity | 1376.8036 |
Chemical Identifiers
| CAS Number | 862116-96-9 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)/C4=CC(=C(C=C4)OC)OC |
Product Overview
C19H21N11O4S (CAS 862116-96-9), with molecular formula C19H21N11O4S and molecular weight 499.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C19H21N11O4S
Property Insights of C19H21N11O4S
The XLogP value of 0.8245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H21N11O4S. The TPSA of 186.28 Ų indicates high polarity, suggesting C19H21N11O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H21N11O4S has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C19H21N11O4S?
The CAS number of C19H21N11O4S is 862116-96-9.
What is the molecular formula of C19H21N11O4S?
The molecular formula of C19H21N11O4S is C19H21N11O4S.
What is the molecular weight of C19H21N11O4S?
The molecular weight of C19H21N11O4S is 499.15 g/mol.
Where can I buy C19H21N11O4S?
You can request a quote for C19H21N11O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H21N11O4S?
Yes, KEHONG BIO provides custom synthesis services for C19H21N11O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.