![1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide structure](/static/products/478/478251-39-7.png)
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide (CAS 478251-39-7) is a chemical compound with molecular formula C25H25BrFN9O4 and molecular weight 613.12 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)-[2-bromo-4-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide
| Molecular Formula | C25H25BrFN9O4 |
|---|---|
| Molecular Weight | 613.12 g/mol |
| LogP | 3.0814 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 613.1197 |
| Heavy Atoms | 40 |
| Complexity | 1517.2223 |
Chemical Identifiers
| CAS Number | 478251-39-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)OCC2=CC=C(C=C2)F)Br)/C=N/NC(=O)C3=C(N=NN3C4=NON=C4N)CN5CCCC5 |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide (CAS 478251-39-7), with molecular formula C25H25BrFN9O4 and molecular weight 613.12 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[2-bromo-4-[(4-fluorophenyl)methoxy]-6-methoxyphenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide
The XLogP value of 3.0814 indicates that 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide is 478251-39-7.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide is C25H25BrFN9O4.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide is 613.12 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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)-{2-bromo-4-[(4-fluorobenzyl)oxy]-6-methoxyphenyl}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.