C29H28ClN5OS
TL;DR: C29H28ClN5OS (CAS 489399-48-6) is a chemical compound with molecular formula C29H28ClN5OS and molecular weight 529.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-phenylphenyl)methylideneamino]acetamide
Also Known As: N'-[(E)-biphenyl-4-ylmethylidene]-2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-([1,1'-biphenyl]-4-ylmethylene)-2-((5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(1E)-2-(4-phenylphenyl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-cyclohexyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C29H28ClN5OS |
|---|---|
| Molecular Weight | 529.17 g/mol |
| LogP | 7.0131 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1703 |
| Heavy Atoms | 37 |
| Complexity | 1347.5797 |
Chemical Identifiers
| CAS Number | 489399-48-6 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
Product Overview
C29H28ClN5OS (CAS 489399-48-6), with molecular formula C29H28ClN5OS and molecular weight 529.17 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-phenylphenyl)methylideneamino]acetamide.
Chemical Property Profile of C29H28ClN5OS
Property Insights of C29H28ClN5OS
The XLogP value of 7.0131 indicates that C29H28ClN5OS 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 C29H28ClN5OS. Following Lipinski's Rule of Five, C29H28ClN5OS 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 C29H28ClN5OS?
The CAS number of C29H28ClN5OS is 489399-48-6.
What is the molecular formula of C29H28ClN5OS?
The molecular formula of C29H28ClN5OS is C29H28ClN5OS.
What is the molecular weight of C29H28ClN5OS?
The molecular weight of C29H28ClN5OS is 529.17 g/mol.
Where can I buy C29H28ClN5OS?
You can request a quote for C29H28ClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H28ClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C29H28ClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.