4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione
TL;DR: 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione (CAS 372154-96-6) is a chemical compound with molecular formula C18H21Cl2N3O3S2 and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichlorophenyl)-2-[5,5-dimethyl-3-(3-methylbutan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1,2,4-oxadiazolidine-3,5-dione
Also Known As: 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione, 4-(3,4-dichlorophenyl)-2-[5,5-dimethyl-3-(3-methylbutan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1,2,4-oxadiazolidine-3,5-dione, 4-(3,4-dichlorophenyl)-2-[5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxo-1,3-thiazolidin-4-yl]-1,2,4-oxadiazolidine-3,5-dione
| Molecular Formula | C18H21Cl2N3O3S2 |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 4.5544 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.04013 |
| Heavy Atoms | 28 |
| Complexity | 1041.4272 |
Chemical Identifiers
| CAS Number | 372154-96-6 |
|---|---|
| SMILES | CC(C)C(C)N1C(C(SC1=S)(C)C)N2C(=O)N(C(=O)O2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione (CAS 372154-96-6), with molecular formula C18H21Cl2N3O3S2 and molecular weight 461.04 g/mol. IUPAC: 4-(3,4-dichlorophenyl)-2-[5,5-dimethyl-3-(3-methylbutan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-yl]-1,2,4-oxadiazolidine-3,5-dione.
Chemical Property Profile of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione
Property Insights of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione
The XLogP value of 4.5544 indicates that 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione. Following Lipinski's Rule of Five, 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione has 0 hydrogen bond donor(s) and 5 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 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione?
The CAS number of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione is 372154-96-6.
What is the molecular formula of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione?
The molecular formula of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione is C18H21Cl2N3O3S2.
What is the molecular weight of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione?
The molecular weight of 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione is 461.04 g/mol.
Where can I buy 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione?
You can request a quote for 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dichlorophenyl)-2-(5,5-dimethyl-3-(3-methylbutan-2-yl)-2-thioxothiazolidin-4-yl)-1,2,4-oxadiazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.