Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate
TL;DR: Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate (CAS 4414-67-9) is a chemical compound with molecular formula C12H19NO3S2 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoate
Also Known As: methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate, isopropyl 6-(4-oxo-2-thioxothiazolidin-3-yl)hexanoate, propan-2-yl 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoate, propan-2-yl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate
| Molecular Formula | C12H19NO3S2 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 2.3587 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.08063 |
| Heavy Atoms | 18 |
| Complexity | 315.2842 |
Chemical Identifiers
| CAS Number | 4414-67-9 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCCN1C(=O)CSC1=S |
Product Overview
Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate (CAS 4414-67-9), with molecular formula C12H19NO3S2 and molecular weight 289.08 g/mol. IUPAC: propan-2-yl 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoate.
Chemical Property Profile of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate
Property Insights of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate
The XLogP value of 2.3587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate. With a topological polar surface area (TPSA) of 46.61 Ų, Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate has 0 hydrogen bond donor(s) and 5 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 Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate?
The CAS number of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate is 4414-67-9.
What is the molecular formula of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate?
The molecular formula of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate is C12H19NO3S2.
What is the molecular weight of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate?
The molecular weight of Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate is 289.08 g/mol.
Where can I buy Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate?
You can request a quote for Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 6-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.