(Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
TL;DR: (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate (CAS 614736-77-5) is a chemical compound with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: BAS 00779080, BIM-0023525.P001, (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate, AB00088301-01, methyl 4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C16H17NO4S2 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 2.8496 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0599 |
| Heavy Atoms | 23 |
| Complexity | 639.9852 |
Chemical Identifiers
| CAS Number | 614736-77-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)OC |
Product Overview
(Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate (CAS 614736-77-5), with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol. IUPAC: methyl 4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
Property Insights of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
The XLogP value of 2.8496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate. With a topological polar surface area (TPSA) of 55.84 Ų, (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate has 0 hydrogen bond donor(s) and 6 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 (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The CAS number of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate is 614736-77-5.
What is the molecular formula of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The molecular formula of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate is C16H17NO4S2.
What is the molecular weight of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
The molecular weight of (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate is 351.06 g/mol.
Where can I buy (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
You can request a quote for (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.