5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole
TL;DR: 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole (CAS 700349-68-4) is a chemical compound with molecular formula C12H10Cl2N2OS and molecular weight 299.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
Also Known As: NCI60_020311, 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole, 1-(2-(3,4-Dichloroanilino)-4-methyl-1,3-thiazol-5-yl)ethanone, 1-[2-(3,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone, 1-(2-(3,4-dichlorophenylamino)-4-methylthiazol-5-yl)ethanone
| Molecular Formula | C12H10Cl2N2OS |
|---|---|
| Molecular Weight | 299.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.98907 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 700349-68-4 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C |
| InChIKey | KFCXPECMXMNCRG-UHFFFAOYSA-N |
Product Overview
5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole (CAS 700349-68-4), with molecular formula C12H10Cl2N2OS and molecular weight 299.99 g/mol. IUPAC: 1-[2-(3,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone.
Chemical Property Profile of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole
Property Insights of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole
The XLogP value of 4.5 indicates that 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole. Following Lipinski's Rule of Five, 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole 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 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole?
The CAS number of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole is 700349-68-4.
What is the molecular formula of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole?
The molecular formula of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole is C12H10Cl2N2OS.
What is the molecular weight of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole?
The molecular weight of 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole is 299.99 g/mol.
Where can I buy 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole?
You can request a quote for 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole 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-(3,4-dichlorophenylamino)-4-methylthiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.