3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one (CAS 618074-76-3) is a chemical compound with molecular formula C17H17NO2S2 and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butan-2-yl-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-SEC-BUTYL-5-(2H-CHROMEN-3-YLMETHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-(butan-2-yl)-5-(2H-chromen-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-butan-2-yl-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-butan-2-yl-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 637-917-6
| Molecular Formula | C17H17NO2S2 |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 4.0051 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.07007 |
| Heavy Atoms | 22 |
| Complexity | 693.6543 |
Chemical Identifiers
| CAS Number | 618074-76-3 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=CC3=CC=CC=C3OC2)/SC1=S |
Product Overview
3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one (CAS 618074-76-3), with molecular formula C17H17NO2S2 and molecular weight 331.07 g/mol. IUPAC: (5Z)-3-butan-2-yl-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.0051 indicates that 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one has 0 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 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one is 618074-76-3.
What is the molecular formula of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one is C17H17NO2S2.
What is the molecular weight of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one is 331.07 g/mol.
Where can I buy 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Sec-butyl-5-(2H-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.