RefChem:819940
TL;DR: RefChem:819940 (CAS 307975-54-8) is a chemical compound with molecular formula C26H21BrClN5OS and molecular weight 565.03 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-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(1E,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-((Z)-2-bromo-3-phenylallylidene)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE]-2-{[5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE, 652-578-4, N'-((E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE)-2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDE
| Molecular Formula | C26H21BrClN5OS |
|---|---|
| Molecular Weight | 565.03 g/mol |
| LogP | 6.52622 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 565.0339 |
| Heavy Atoms | 35 |
| Complexity | 1353.0248 |
Chemical Identifiers
| CAS Number | 307975-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C(=C/C3=CC=CC=C3)/Br)C4=CC=C(C=C4)Cl |
Product Overview
RefChem:819940 (CAS 307975-54-8), with molecular formula C26H21BrClN5OS and molecular weight 565.03 g/mol. IUPAC: N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:819940
Property Insights of RefChem:819940
The XLogP value of 6.52622 indicates that RefChem:819940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:819940. Following Lipinski's Rule of Five, RefChem:819940 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:819940?
The CAS number of RefChem:819940 is 307975-54-8.
What is the molecular formula of RefChem:819940?
The molecular formula of RefChem:819940 is C26H21BrClN5OS.
What is the molecular weight of RefChem:819940?
The molecular weight of RefChem:819940 is 565.03 g/mol.
Where can I buy RefChem:819940?
You can request a quote for RefChem:819940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819940?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.