ChemDiv3_001677
TL;DR: ChemDiv3_001677 (CAS 67739-23-5) is a chemical compound with molecular formula C18H23NO2S2 and molecular weight 349.12 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]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv3_001677, 5-(3,5-di-tert-butyl-4-hydroxyphenyl)methylenerhodanine, 5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone, 4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-, 5-[(3,5-bis (1,1-dimethylethyl)-4-hydroxyphenyl)methylene]-2-thioxo-4-thiazolidinone
| Molecular Formula | C18H23NO2S2 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 4.476 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.11703 |
| Heavy Atoms | 23 |
| Complexity | 671.7074 |
Chemical Identifiers
| CAS Number | 67739-23-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)NC(=S)S2 |
Product Overview
ChemDiv3_001677 (CAS 67739-23-5), with molecular formula C18H23NO2S2 and molecular weight 349.12 g/mol. IUPAC: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv3_001677
Property Insights of ChemDiv3_001677
The XLogP value of 4.476 indicates that ChemDiv3_001677 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, ChemDiv3_001677 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001677 has 2 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 ChemDiv3_001677?
The CAS number of ChemDiv3_001677 is 67739-23-5.
What is the molecular formula of ChemDiv3_001677?
The molecular formula of ChemDiv3_001677 is C18H23NO2S2.
What is the molecular weight of ChemDiv3_001677?
The molecular weight of ChemDiv3_001677 is 349.12 g/mol.
Where can I buy ChemDiv3_001677?
You can request a quote for ChemDiv3_001677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001677?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.