2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione
TL;DR: 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione (CAS 369608-83-3) is a chemical compound with molecular formula C20H18ClN3O3S2 and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione
Also Known As: 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione, 2-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione
| Molecular Formula | C20H18ClN3O3S2 |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | 4.0567 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.04782 |
| Heavy Atoms | 29 |
| Complexity | 1183.4272 |
Chemical Identifiers
| CAS Number | 369608-83-3 |
|---|---|
| SMILES | CC1(C(N(C(=S)S1)CC2=CC=CC=C2)N3C(=O)N(C(=O)O3)C4=CC(=CC=C4)Cl)C |
Product Overview
2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione (CAS 369608-83-3), with molecular formula C20H18ClN3O3S2 and molecular weight 447.05 g/mol. IUPAC: 2-(3-benzyl-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione.
Chemical Property Profile of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione
Property Insights of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione
The XLogP value of 4.0567 indicates that 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-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 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione. Following Lipinski's Rule of Five, 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-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 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione?
The CAS number of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione is 369608-83-3.
What is the molecular formula of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione?
The molecular formula of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione is C20H18ClN3O3S2.
What is the molecular weight of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione?
The molecular weight of 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione is 447.05 g/mol.
Where can I buy 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione?
You can request a quote for 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-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 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-benzyl-5,5-dimethyl-2-thioxothiazolidin-4-yl)-4-(3-chlorophenyl)-1,2,4-oxadiazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.