3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole
TL;DR: 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole (CAS 680212-89-9) is a chemical compound with molecular formula C11H6Cl2N4S and molecular weight 295.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)-1,2-thiazole
Also Known As: 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole, 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)-1,2-thiazole, 3-[3-chloro-5-(2-chlorophenyl)-1,2-thiazol-4-yl]-2H-1,2,4-triazole
| Molecular Formula | C11H6Cl2N4S |
|---|---|
| Molecular Weight | 295.97 g/mol |
| LogP | 3.902 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.96902 |
| Heavy Atoms | 18 |
| Complexity | 678.17535 |
Chemical Identifiers
| CAS Number | 680212-89-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C(C(=NS2)Cl)C3=NC=NN3)Cl |
Product Overview
3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole (CAS 680212-89-9), with molecular formula C11H6Cl2N4S and molecular weight 295.97 g/mol. IUPAC: 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)-1,2-thiazole.
Chemical Property Profile of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole
Property Insights of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole
The XLogP value of 3.902 indicates that 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole 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 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole?
The CAS number of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole is 680212-89-9.
What is the molecular formula of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole?
The molecular formula of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole is C11H6Cl2N4S.
What is the molecular weight of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole?
The molecular weight of 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole is 295.97 g/mol.
Where can I buy 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole?
You can request a quote for 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-5-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)isothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.