S-2474
TL;DR: S-2474 (CAS 158089-95-3) is a chemical compound with molecular formula C20H31NO3S and molecular weight 365.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[(E)-(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol
Also Known As: S-2474, PHENOL, 2,6-BIS(1,1-DIMETHYLETHYL)-4-[(E)-(2-ETHYL-1,1-DIOXIDO-5-ISOTHIAZOLIDINYLIDENE)METHYL]-, 2,6-ditert-butyl-4-[(E)-(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol, (E)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2-ethylisothiazolidine 1,1-dioxide, 4-[(Z)-(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]-2,6-ditert-butyl-phenol
| Molecular Formula | C20H31NO3S |
|---|---|
| Molecular Weight | 365.20 g/mol |
| LogP | 4.3835 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.20245 |
| Heavy Atoms | 25 |
| Complexity | 758.20575 |
Chemical Identifiers
| CAS Number | 158089-95-3 |
|---|---|
| SMILES | CCN1CC/C(=C\C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)/S1(=O)=O |
Product Overview
S-2474 (CAS 158089-95-3), with molecular formula C20H31NO3S and molecular weight 365.20 g/mol. IUPAC: 2,6-ditert-butyl-4-[(E)-(2-ethyl-1,1-dioxo-1,2-thiazolidin-5-ylidene)methyl]phenol.
Chemical Property Profile of S-2474
Property Insights of S-2474
The XLogP value of 4.3835 indicates that S-2474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, S-2474 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-2474 has 1 hydrogen bond donor(s) and 3 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 S-2474?
The CAS number of S-2474 is 158089-95-3.
What is the molecular formula of S-2474?
The molecular formula of S-2474 is C20H31NO3S.
What is the molecular weight of S-2474?
The molecular weight of S-2474 is 365.20 g/mol.
Where can I buy S-2474?
You can request a quote for S-2474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2474?
Yes, KEHONG BIO provides custom synthesis services for S-2474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.