![1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE structure](/static/products/478/478251-48-8.png)
1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE
TL;DR: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE (CAS 478251-48-8) is a chemical compound with molecular formula C26H27Cl2N9O4 and molecular weight 599.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-2-ethoxyphenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
Also Known As: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE
| Molecular Formula | C26H27Cl2N9O4 |
|---|---|
| Molecular Weight | 599.16 g/mol |
| LogP | 3.8767 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 599.1563 |
| Heavy Atoms | 41 |
| Complexity | 1549.6973 |
Chemical Identifiers
| CAS Number | 478251-48-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)/C=N/NC(=O)C3=C(N=NN3C4=NON=C4N)CN5CCCC5 |
Product Overview
1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE (CAS 478251-48-8), with molecular formula C26H27Cl2N9O4 and molecular weight 599.16 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-2-ethoxyphenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE
Property Insights of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE
The XLogP value of 3.8767 indicates that 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.81 Ų indicates high polarity, suggesting 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE has 2 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 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE?
The CAS number of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE is 478251-48-8.
What is the molecular formula of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE?
The molecular formula of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE is C26H27Cl2N9O4.
What is the molecular weight of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE?
The molecular weight of 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE is 599.16 g/mol.
Where can I buy 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE?
You can request a quote for 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(2,4-DICHLOROBENZYL)OXY]-2-ETHOXYPHENYL}METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.