Topaz fruit
TL;DR: Topaz fruit (CAS 94241-95-9) is a chemical compound with molecular formula C22H23Cl5N4O2S and molecular weight 582.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: Topaz fruit, Topas C, Penconazole-captan mixt., Penconazole - captan mixt., CGA 71818-captan mixt.
| Molecular Formula | C22H23Cl5N4O2S |
|---|---|
| Molecular Weight | 582.00 g/mol |
| LogP | 7.0823 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 581.9984 |
| Heavy Atoms | 34 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 94241-95-9 |
|---|---|
| SMILES | CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl |
| InChIKey | LFMRIUHZLBUBTF-UHFFFAOYSA-N |
Product Overview
Topaz fruit (CAS 94241-95-9), with molecular formula C22H23Cl5N4O2S and molecular weight 582.00 g/mol. IUPAC: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of Topaz fruit
Property Insights of Topaz fruit
The XLogP value of 7.0823 indicates that Topaz fruit is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Topaz fruit. Following Lipinski's Rule of Five, Topaz fruit has 0 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 Topaz fruit?
The CAS number of Topaz fruit is 94241-95-9.
What is the molecular formula of Topaz fruit?
The molecular formula of Topaz fruit is C22H23Cl5N4O2S.
What is the molecular weight of Topaz fruit?
The molecular weight of Topaz fruit is 582.00 g/mol.
Where can I buy Topaz fruit?
You can request a quote for Topaz fruit directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Topaz fruit?
Yes, KEHONG BIO provides custom synthesis services for Topaz fruit and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.