C27H24BrN5OS
TL;DR: C27H24BrN5OS (CAS 498544-54-0) is a chemical compound with molecular formula C27H24BrN5OS and molecular weight 545.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]acetohydrazide, (E)-N'-((Z)-2-bromo-3-phenylallylidene)-2-((4,5-di-p-tolyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]acetohydrazide, N-((3Z,1E)-3-bromo-4-phenyl-1-azabuta-1,3-dienyl)-2-[4,5-bis(4-methylphenyl)(1 ,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C27H24BrN5OS |
|---|---|
| Molecular Weight | 545.09 g/mol |
| LogP | 6.18124 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.0885 |
| Heavy Atoms | 35 |
| Complexity | 1346.8542 |
Chemical Identifiers
| CAS Number | 498544-54-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)N/N=C/C(=C/C4=CC=CC=C4)/Br |
Product Overview
C27H24BrN5OS (CAS 498544-54-0), with molecular formula C27H24BrN5OS and molecular weight 545.09 g/mol. IUPAC: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of C27H24BrN5OS
Property Insights of C27H24BrN5OS
The XLogP value of 6.18124 indicates that C27H24BrN5OS 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 C27H24BrN5OS. Following Lipinski's Rule of Five, C27H24BrN5OS 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 C27H24BrN5OS?
The CAS number of C27H24BrN5OS is 498544-54-0.
What is the molecular formula of C27H24BrN5OS?
The molecular formula of C27H24BrN5OS is C27H24BrN5OS.
What is the molecular weight of C27H24BrN5OS?
The molecular weight of C27H24BrN5OS is 545.09 g/mol.
Where can I buy C27H24BrN5OS?
You can request a quote for C27H24BrN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H24BrN5OS?
Yes, KEHONG BIO provides custom synthesis services for C27H24BrN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.