(E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate
TL;DR: (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate (CAS 306323-07-9) is a chemical compound with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(5Z)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Also Known As: (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate, methyl 6-[(5Z)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
| Molecular Formula | C17H19NO3S2 |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.2571 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.08063 |
| Heavy Atoms | 23 |
| Complexity | 613.5243 |
Chemical Identifiers
| CAS Number | 306323-07-9 |
|---|---|
| SMILES | COC(=O)CCCCCN1C(=S)/C(=C/C2=CC=CC=C2)/SC1=O |
Product Overview
(E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate (CAS 306323-07-9), with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol. IUPAC: methyl 6-[(5Z)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate.
Chemical Property Profile of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate
Property Insights of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate
The XLogP value of 4.2571 indicates that (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-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 (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate?
The CAS number of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate is 306323-07-9.
What is the molecular formula of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate?
The molecular formula of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate is C17H19NO3S2.
What is the molecular weight of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate?
The molecular weight of (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate is 349.08 g/mol.
Where can I buy (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate?
You can request a quote for (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-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 (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 6-(5-benzylidene-2-oxo-4-thioxothiazolidin-3-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.