N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 307975-59-3) is a chemical compound with molecular formula C22H22BrN5O2S and molecular weight 499.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE]-2-{[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE, (E)-N'-((Z)-2-bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 652-553-8, N'-((E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE)-2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDE
| Molecular Formula | C22H22BrN5O2S |
|---|---|
| Molecular Weight | 499.07 g/mol |
| LogP | 4.6037 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.06775 |
| Heavy Atoms | 31 |
| Complexity | 1065.2651 |
Chemical Identifiers
| CAS Number | 307975-59-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C(=C/C2=CC=CC=C2)/Br)C3=CC=C(C=C3)OC |
Product Overview
N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 307975-59-3), with molecular formula C22H22BrN5O2S and molecular weight 499.07 g/mol. IUPAC: N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 4.6037 indicates that N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 307975-59-3.
What is the molecular formula of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C22H22BrN5O2S.
What is the molecular weight of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 499.07 g/mol.
Where can I buy N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Bromo-3-phenylallylidene)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.