C23H23BrClN5OS
TL;DR: C23H23BrClN5OS (CAS 499125-94-9) is a chemical compound with molecular formula C23H23BrClN5OS and molecular weight 531.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(4-bromobenzylidene)-2-((5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(1E)-2-(4-bromophenyl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-cyclohexyl(1,2,4 -triazol-3-ylthio)]acetamide, N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H23BrClN5OS |
|---|---|
| Molecular Weight | 531.05 g/mol |
| LogP | 6.1086 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.0495 |
| Heavy Atoms | 32 |
| Complexity | 1078.7711 |
Chemical Identifiers
| CAS Number | 499125-94-9 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl |
Product Overview
C23H23BrClN5OS (CAS 499125-94-9), with molecular formula C23H23BrClN5OS and molecular weight 531.05 g/mol. IUPAC: N-[(E)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C23H23BrClN5OS
Property Insights of C23H23BrClN5OS
The XLogP value of 6.1086 indicates that C23H23BrClN5OS 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 C23H23BrClN5OS. Following Lipinski's Rule of Five, C23H23BrClN5OS 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 C23H23BrClN5OS?
The CAS number of C23H23BrClN5OS is 499125-94-9.
What is the molecular formula of C23H23BrClN5OS?
The molecular formula of C23H23BrClN5OS is C23H23BrClN5OS.
What is the molecular weight of C23H23BrClN5OS?
The molecular weight of C23H23BrClN5OS is 531.05 g/mol.
Where can I buy C23H23BrClN5OS?
You can request a quote for C23H23BrClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H23BrClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C23H23BrClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.