C19H20N12O3S
TL;DR: C19H20N12O3S (CAS 862198-04-7) is a chemical compound with molecular formula C19H20N12O3S and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-N-(3-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl)acetamide, N-{3-[(1E)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenyl}acetamide
| Molecular Formula | C19H20N12O3S |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 0.7657 |
| Topological Polar Surface Area | 196.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.1502 |
| Heavy Atoms | 35 |
| Complexity | 1405.4723 |
Chemical Identifiers
| CAS Number | 862198-04-7 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)/C4=CC(=CC=C4)NC(=O)C |
Product Overview
C19H20N12O3S (CAS 862198-04-7), with molecular formula C19H20N12O3S and molecular weight 496.15 g/mol. IUPAC: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C19H20N12O3S
Property Insights of C19H20N12O3S
The XLogP value of 0.7657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H20N12O3S. The TPSA of 196.92 Ų indicates high polarity, suggesting C19H20N12O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H20N12O3S has 3 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 C19H20N12O3S?
The CAS number of C19H20N12O3S is 862198-04-7.
What is the molecular formula of C19H20N12O3S?
The molecular formula of C19H20N12O3S is C19H20N12O3S.
What is the molecular weight of C19H20N12O3S?
The molecular weight of C19H20N12O3S is 496.15 g/mol.
Where can I buy C19H20N12O3S?
You can request a quote for C19H20N12O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H20N12O3S?
Yes, KEHONG BIO provides custom synthesis services for C19H20N12O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.