Isotianil
TL;DR: Isotianil (CAS 224049-04-1) is a chemical compound with molecular formula C11H5Cl2N3OS and molecular weight 296.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
Also Known As: Isotianil, Isotianil [ISO], Routine, ISOTIANIL [MI], 3,4-dichloro-N-(2-cyanophenyl)-5-isothiazolecarboxamide
| Molecular Formula | C11H5Cl2N3OS |
|---|---|
| Molecular Weight | 296.95 g/mol |
| LogP | 3.57388 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.95303 |
| Heavy Atoms | 18 |
| Complexity | 647.97815 |
Chemical Identifiers
| CAS Number | 224049-04-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)C2=C(C(=NS2)Cl)Cl |
Product Overview
Isotianil (CAS 224049-04-1), with molecular formula C11H5Cl2N3OS and molecular weight 296.95 g/mol. IUPAC: 3,4-dichloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide.
Chemical Property Profile of Isotianil
Property Insights of Isotianil
The XLogP value of 3.57388 indicates that Isotianil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Isotianil. Following Lipinski's Rule of Five, Isotianil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isotianil?
The CAS number of Isotianil is 224049-04-1.
What is the molecular formula of Isotianil?
The molecular formula of Isotianil is C11H5Cl2N3OS.
What is the molecular weight of Isotianil?
The molecular weight of Isotianil is 296.95 g/mol.
Where can I buy Isotianil?
You can request a quote for Isotianil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotianil?
Yes, KEHONG BIO provides custom synthesis services for Isotianil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.