Ciluan
TL;DR: Ciluan (CAS 39374-44-2) is a chemical compound with molecular formula C22H13Cl5N4O2S and molecular weight 571.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: Ciluan, Captan-pyridintril mixt., Captan - pyridintril mixt., 2,6-Dichloro-4-phenylpyridine-3,5-dicarbonitrile--2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (1/1), 2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C22H13Cl5N4O2S |
|---|---|
| Molecular Weight | 571.92 g/mol |
| LogP | 6.71226 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 571.92017 |
| Heavy Atoms | 34 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 39374-44-2 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl.C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)Cl)Cl)C#N |
| InChIKey | PMXJQNPDGSWTJU-UHFFFAOYSA-N |
Product Overview
Ciluan (CAS 39374-44-2), with molecular formula C22H13Cl5N4O2S and molecular weight 571.92 g/mol. IUPAC: 2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of Ciluan
Property Insights of Ciluan
The XLogP value of 6.71226 indicates that Ciluan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ciluan. Following Lipinski's Rule of Five, Ciluan has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ciluan?
The CAS number of Ciluan is 39374-44-2.
What is the molecular formula of Ciluan?
The molecular formula of Ciluan is C22H13Cl5N4O2S.
What is the molecular weight of Ciluan?
The molecular weight of Ciluan is 571.92 g/mol.
Where can I buy Ciluan?
You can request a quote for Ciluan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ciluan?
Yes, KEHONG BIO provides custom synthesis services for Ciluan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.