![5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile structure](/static/products/2564/256414-71-8.webp)
5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile
TL;DR: 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile (CAS 256414-71-8) is a chemical compound with molecular formula C23H15ClF3N3O4S and molecular weight 521.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
Also Known As: 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile, 5-acetyl-2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile, 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinoni, 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
| Molecular Formula | C23H15ClF3N3O4S |
|---|---|
| Molecular Weight | 521.04 g/mol |
| LogP | 6.8715 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.0424 |
| Heavy Atoms | 35 |
| Complexity | 1386.9747 |
Chemical Identifiers
| CAS Number | 256414-71-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C#N)C3=CC=C(C=C3)OC)C(=O)C |
Product Overview
5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile (CAS 256414-71-8), with molecular formula C23H15ClF3N3O4S and molecular weight 521.04 g/mol. IUPAC: 5-acetyl-2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile
Property Insights of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile
The XLogP value of 6.8715 indicates that 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile. Following Lipinski's Rule of Five, 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile?
The CAS number of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile is 256414-71-8.
What is the molecular formula of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile?
The molecular formula of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile is C23H15ClF3N3O4S.
What is the molecular weight of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile?
The molecular weight of 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile is 521.04 g/mol.
Where can I buy 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile?
You can request a quote for 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-{[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]thio}-4-(4-methoxyphenyl)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.