C19H21N11O3S
TL;DR: C19H21N11O3S (CAS 861645-85-4) is a chemical compound with molecular formula C19H21N11O3S and molecular weight 483.15 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-(2-methoxyphenyl)propan-2-ylideneamino]-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-(2-methoxyphenyl)propan-2-ylidene)-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'-[(2E)-1-(2-methoxyphenyl)propan-2-ylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H21N11O3S |
|---|---|
| Molecular Weight | 483.15 g/mol |
| LogP | 1.0103 |
| Topological Polar Surface Area | 177.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.15497 |
| Heavy Atoms | 34 |
| Complexity | 1326.5092 |
Chemical Identifiers
| CAS Number | 861645-85-4 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)/CC4=CC=CC=C4OC |
Product Overview
C19H21N11O3S (CAS 861645-85-4), with molecular formula C19H21N11O3S and molecular weight 483.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(2-methoxyphenyl)propan-2-ylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C19H21N11O3S
Property Insights of C19H21N11O3S
The XLogP value of 1.0103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H21N11O3S. The TPSA of 177.05 Ų indicates high polarity, suggesting C19H21N11O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H21N11O3S 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 C19H21N11O3S?
The CAS number of C19H21N11O3S is 861645-85-4.
What is the molecular formula of C19H21N11O3S?
The molecular formula of C19H21N11O3S is C19H21N11O3S.
What is the molecular weight of C19H21N11O3S?
The molecular weight of C19H21N11O3S is 483.15 g/mol.
Where can I buy C19H21N11O3S?
You can request a quote for C19H21N11O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H21N11O3S?
Yes, KEHONG BIO provides custom synthesis services for C19H21N11O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.