![1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate structure](/static/products/5663/5663-19-4.webp)
1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate
TL;DR: 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate (CAS 5663-19-4) is a chemical compound with molecular formula C27H20ClN5O2S and molecular weight 513.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate
Also Known As: 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate, 1-{[2-({[5-(4-Chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}naphthalen-2-olate
| Molecular Formula | C27H20ClN5O2S |
|---|---|
| Molecular Weight | 513.10 g/mol |
| LogP | 4.476 |
| Topological Polar Surface Area | 97.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.1026 |
| Heavy Atoms | 36 |
| Complexity | 1552.3094 |
Chemical Identifiers
| CAS Number | 5663-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=C(NN=C2SCC(=O)NN=CC3=C(C=CC4=CC=CC=C43)[O-])C5=CC=C(C=C5)Cl |
Product Overview
1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate (CAS 5663-19-4), with molecular formula C27H20ClN5O2S and molecular weight 513.10 g/mol. IUPAC: 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate.
Chemical Property Profile of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate
Property Insights of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate
The XLogP value of 4.476 indicates that 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate. Following Lipinski's Rule of Five, 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate has 2 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 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate?
The CAS number of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate is 5663-19-4.
What is the molecular formula of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate?
The molecular formula of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate is C27H20ClN5O2S.
What is the molecular weight of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate?
The molecular weight of 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate is 513.10 g/mol.
Where can I buy 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate?
You can request a quote for 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-[[[2-[[5-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.