(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861634-96-0) is a chemical compound with molecular formula C21H21N9O2S and molecular weight 463.15 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)-[(E)-4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene]amino]-5-thiophen-2-yltriazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(2E,3E)-4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[(E)-4-(4-dimethylaminophenyl)but-3-en-2-ylidene]amino]-5-thiophen-2-yltriazole-4-carboxamide
| Molecular Formula | C21H21N9O2S |
|---|---|
| Molecular Weight | 463.15 g/mol |
| LogP | 2.8461 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1539 |
| Heavy Atoms | 33 |
| Complexity | 1301.9762 |
Chemical Identifiers
| CAS Number | 861634-96-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CS3)/C=C/C4=CC=C(C=C4)N(C)C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 861634-96-0), with molecular formula C21H21N9O2S and molecular weight 463.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[(E)-4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene]amino]-5-thiophen-2-yltriazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 140.35 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide is 861634-96-0.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide is C21H21N9O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide is 463.15 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-4-(4-(dimethylamino)phenyl)but-3-en-2-ylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.