(Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid
TL;DR: (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid (CAS 843624-94-2) is a chemical compound with molecular formula C18H18N10O5 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]triazole-4-carbonyl]diazenyl]-2-hydroxyindol-1-yl]acetic acid
Also Known As: (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid, 2-[(3E)-3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)triazole-4-carbonyl]hydrazinylidene]-2-oxoindol-1-yl]acetic acid, 2-[(3Z)-3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)triazole-4-carbonyl]hydrazinylidene]-2-oxoindol-1-yl]acetic acid, 2-[3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)triazole-4-carbonyl]hydrazinylidene]-2-oxoindol-1-yl]acetic acid
| Molecular Formula | C18H18N10O5 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 0.9631 |
| Topological Polar Surface Area | 203.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.14615 |
| Heavy Atoms | 33 |
| Complexity | 1382.6783 |
Chemical Identifiers
| CAS Number | 843624-94-2 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N=NC3=C(N(C4=CC=CC=C43)CC(=O)O)O |
Product Overview
(Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid (CAS 843624-94-2), with molecular formula C18H18N10O5 and molecular weight 454.15 g/mol. IUPAC: 2-[3-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]triazole-4-carbonyl]diazenyl]-2-hydroxyindol-1-yl]acetic acid.
Chemical Property Profile of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid
Property Insights of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid
The XLogP value of 0.9631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid. The TPSA of 203.14 Ų indicates high polarity, suggesting (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid?
The CAS number of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid is 843624-94-2.
What is the molecular formula of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid?
The molecular formula of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid is C18H18N10O5.
What is the molecular weight of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid?
The molecular weight of (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid is 454.15 g/mol.
Where can I buy (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid?
You can request a quote for (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(3-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)-2-oxoindolin-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.