(Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate
TL;DR: (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate (CAS 841209-81-2) is a chemical compound with molecular formula C19H16N10O5S2 and molecular weight 528.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carbonyl]diazenyl]-2-hydroxyindole-1-carboxylate
Also Known As: (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate, methyl (3Z)-3-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]-2-oxo-2,3-dihydro-1H-indole-1-carboxylate, methyl 3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]-2-oxoindole-1-carboxylate
| Molecular Formula | C19H16N10O5S2 |
|---|---|
| Molecular Weight | 528.07 g/mol |
| LogP | 2.7674 |
| Topological Polar Surface Area | 201.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.07465 |
| Heavy Atoms | 36 |
| Complexity | 1538.6453 |
Chemical Identifiers
| CAS Number | 841209-81-2 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(N(N=N3)C4=NON=C4N)CSC5=NCCS5 |
Product Overview
(Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate (CAS 841209-81-2), with molecular formula C19H16N10O5S2 and molecular weight 528.07 g/mol. IUPAC: methyl 3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carbonyl]diazenyl]-2-hydroxyindole-1-carboxylate.
Chemical Property Profile of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate
Property Insights of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate
The XLogP value of 2.7674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate. The TPSA of 201.26 Ų indicates high polarity, suggesting (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
The CAS number of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate is 841209-81-2.
What is the molecular formula of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
The molecular formula of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate is C19H16N10O5S2.
What is the molecular weight of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
The molecular weight of (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate is 528.07 g/mol.
Where can I buy (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
You can request a quote for (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindoline-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.