(5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione (CAS 860610-45-3) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione, 10T-0029, 3-methyl-5-[(E)-3-methylbutylidene]-1,3-thiazolane-2,4-dione, (5E)-3-methyl-5-(3-methylbutylidene)thiazolidine-2,4-dione
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.2416 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 270.78827 |
Chemical Identifiers
| CAS Number | 860610-45-3 |
|---|---|
| SMILES | CC(C)C/C=C/1\C(=O)N(C(=O)S1)C |
Product Overview
(5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione (CAS 860610-45-3), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 2.2416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione. With a topological polar surface area (TPSA) of 37.38 Ų, (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione has 0 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 (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione is 860610-45-3.
What is the molecular formula of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione is C9H13NO2S.
What is the molecular weight of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione is 199.07 g/mol.
Where can I buy (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3-methyl-5-(3-methylbutylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.