C28H22ClN5OS
TL;DR: C28H22ClN5OS (CAS 315217-56-2) is a chemical compound with molecular formula C28H22ClN5OS and molecular weight 511.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide
Also Known As: (E)-2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(naphthalen-1-yl)ethylidene)acetohydrazide, 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(naphthalen-1-yl)ethylidene]acetohydrazide, 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-1-(1-naphthyl)ethylidene]acetohydrazide, N-((1E)-2-naphthyl-1-azaprop-1-enyl)-2-[5-(4-chlorophenyl)-4-phenyl(1,2,4-tria zol-3-ylthio)]acetamide
| Molecular Formula | C28H22ClN5OS |
|---|---|
| Molecular Weight | 511.12 g/mol |
| LogP | 6.3734 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.12335 |
| Heavy Atoms | 36 |
| Complexity | 1542.5903 |
Chemical Identifiers
| CAS Number | 315217-56-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)/C4=CC=CC5=CC=CC=C54 |
Product Overview
C28H22ClN5OS (CAS 315217-56-2), with molecular formula C28H22ClN5OS and molecular weight 511.12 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-naphthalen-1-ylethylideneamino]acetamide.
Chemical Property Profile of C28H22ClN5OS
Property Insights of C28H22ClN5OS
The XLogP value of 6.3734 indicates that C28H22ClN5OS 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 C28H22ClN5OS. Following Lipinski's Rule of Five, C28H22ClN5OS 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 C28H22ClN5OS?
The CAS number of C28H22ClN5OS is 315217-56-2.
What is the molecular formula of C28H22ClN5OS?
The molecular formula of C28H22ClN5OS is C28H22ClN5OS.
What is the molecular weight of C28H22ClN5OS?
The molecular weight of C28H22ClN5OS is 511.12 g/mol.
Where can I buy C28H22ClN5OS?
You can request a quote for C28H22ClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H22ClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C28H22ClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.