![N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide structure](/static/products/306/306756-87-6.png)
N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
TL;DR: N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide (CAS 306756-87-6) is a chemical compound with molecular formula C29H31N5O3S and molecular weight 529.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(4-(tert-butyl)benzylidene)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-{(1E)-2-[4-(tert-butyl)phenyl]-1-azavinyl}-2-[5-(3,4-dimethoxyphenyl)-4-phen yl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C29H31N5O3S |
|---|---|
| Molecular Weight | 529.21 g/mol |
| LogP | 5.4914 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.2148 |
| Heavy Atoms | 38 |
| Complexity | 1410.6567 |
Chemical Identifiers
| CAS Number | 306756-87-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC |
Product Overview
N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide (CAS 306756-87-6), with molecular formula C29H31N5O3S and molecular weight 529.21 g/mol. IUPAC: N-[(E)-(4-tert-butylphenyl)methylideneamino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Property Insights of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
The XLogP value of 5.4914 indicates that N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide. Following Lipinski's Rule of Five, N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
The CAS number of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is 306756-87-6.
What is the molecular formula of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
The molecular formula of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is C29H31N5O3S.
What is the molecular weight of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
The molecular weight of N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is 529.21 g/mol.
Where can I buy N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
You can request a quote for N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.