![2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide structure](/static/products/100/1005662-64-5.png)
2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide
TL;DR: 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide (CAS 1005662-64-5) is a chemical compound with molecular formula C27H26BrF4N7O3S and molecular weight 683.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]acetamide
Also Known As: 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide, 2-[(5-{[3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL}-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-((E)-1-{3-[(4-BROMOPHENOXY)METHYL]-4-METHOXYPHENYL}METHYLIDENE)ACETOHYDRAZIDE, 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]acetamide
| Molecular Formula | C27H26BrF4N7O3S |
|---|---|
| Molecular Weight | 683.09 g/mol |
| LogP | 6.0105 |
| Topological Polar Surface Area | 108.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 683.09375 |
| Heavy Atoms | 43 |
| Complexity | 1564.6521 |
Chemical Identifiers
| CAS Number | 1005662-64-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br)CN4C(=CC(=N4)C(F)F)C(F)F |
Product Overview
2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide (CAS 1005662-64-5), with molecular formula C27H26BrF4N7O3S and molecular weight 683.09 g/mol. IUPAC: 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]methylideneamino]acetamide.
Chemical Property Profile of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide
Property Insights of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide
The XLogP value of 6.0105 indicates that 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide?
The CAS number of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide is 1005662-64-5.
What is the molecular formula of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide?
The molecular formula of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide is C27H26BrF4N7O3S.
What is the molecular weight of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide?
The molecular weight of 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide is 683.09 g/mol.
Where can I buy 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide?
You can request a quote for 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.