(E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid
TL;DR: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid (CAS 862185-10-2) is a chemical compound with molecular formula C18H14N8O5S and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid, 2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
| Molecular Formula | C18H14N8O5S |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 1.1883 |
| Topological Polar Surface Area | 183.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.08078 |
| Heavy Atoms | 32 |
| Complexity | 1263.038 |
Chemical Identifiers
| CAS Number | 862185-10-2 |
|---|---|
| SMILES | C1=CSC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)OCC(=O)O |
Product Overview
(E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid (CAS 862185-10-2), with molecular formula C18H14N8O5S and molecular weight 454.08 g/mol. IUPAC: 2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid
Property Insights of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid
The XLogP value of 1.1883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid. The TPSA of 183.64 Ų indicates high polarity, suggesting (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)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 (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid?
The CAS number of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid is 862185-10-2.
What is the molecular formula of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid?
The molecular formula of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid is C18H14N8O5S.
What is the molecular weight of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid?
The molecular weight of (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid is 454.08 g/mol.
Where can I buy (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid?
You can request a quote for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.