![2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide structure](/static/products/307/307975-56-0.png)
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide
TL;DR: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide (CAS 307975-56-0) is a chemical compound with molecular formula C28H29N5O2S and molecular weight 499.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide, 2-{[5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E,2E)-3-(2-FURYL)-2-METHYL-2-PROPENYLIDENE]ACETOHYDRAZIDE, (E)-2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide, 2-((5-(4-(tert-Butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-(furan-2-yl)-2-methylallylidene)acetohydrazide, 2-((5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E,2E)-3-(2-FURYL)-2-METHYL-2-PROPENYLIDENE)ACETOHYDRAZIDE
| Molecular Formula | C28H29N5O2S |
|---|---|
| Molecular Weight | 499.20 g/mol |
| LogP | 6.1224 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.2042 |
| Heavy Atoms | 36 |
| Complexity | 1349.4532 |
Chemical Identifiers
| CAS Number | 307975-56-0 |
|---|---|
| SMILES | C/C(=C\C1=CC=CO1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide (CAS 307975-56-0), with molecular formula C28H29N5O2S and molecular weight 499.20 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide
Property Insights of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide
The XLogP value of 6.1224 indicates that 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide has 1 hydrogen bond donor(s) and 6 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-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide?
The CAS number of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide is 307975-56-0.
What is the molecular formula of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide is C28H29N5O2S.
What is the molecular weight of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide is 499.20 g/mol.
Where can I buy 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]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-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.