LY 221068
TL;DR: LY 221068 (CAS 132392-39-3) is a chemical compound with molecular formula C20H30N2O2S and molecular weight 362.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(dimethylamino)-1,3-thiazolidin-4-one
Also Known As: LY 221068, 5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-(dimethylamino)-4-thiazolidinone, 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-3-(dimethylamino)-1,3-thiazolidin-4-one, 4-Thiazolidinone, 5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-(dimethylamino)-
| Molecular Formula | C20H30N2O2S |
|---|---|
| Molecular Weight | 362.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.2028 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 132392-39-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(CS2)N(C)C |
| InChIKey | DNXBQWAKVPAADQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LY 221068 (CAS 132392-39-3), with molecular formula C20H30N2O2S and molecular weight 362.20 g/mol. IUPAC: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(dimethylamino)-1,3-thiazolidin-4-one.
Chemical Property Profile of LY 221068
Property Insights of LY 221068
The XLogP value of 5.6 indicates that LY 221068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for LY 221068. Following Lipinski's Rule of Five, LY 221068 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LY 221068?
The CAS number of LY 221068 is 132392-39-3.
What is the molecular formula of LY 221068?
The molecular formula of LY 221068 is C20H30N2O2S.
What is the molecular weight of LY 221068?
The molecular weight of LY 221068 is 362.20 g/mol.
Where can I buy LY 221068?
You can request a quote for LY 221068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 221068?
Yes, KEHONG BIO provides custom synthesis services for LY 221068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.