(E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate (CAS 299904-39-5) is a chemical compound with molecular formula C16H11NO4S2 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
Also Known As: BIM-0031413.P001, (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate, methyl 2-{5-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate, METHYL 2-(5-{[(5E)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)BENZOATE, methyl 2-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
| Molecular Formula | C16H11NO4S2 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | 3.222 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.01294 |
| Heavy Atoms | 23 |
| Complexity | 838.1107 |
Chemical Identifiers
| CAS Number | 299904-39-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C/3\C(=O)NC(=S)S3 |
Product Overview
(E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate (CAS 299904-39-5), with molecular formula C16H11NO4S2 and molecular weight 345.01 g/mol. IUPAC: methyl 2-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 3.222 indicates that (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate has 1 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 (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is 299904-39-5.
What is the molecular formula of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is C16H11NO4S2.
What is the molecular weight of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is 345.01 g/mol.
Where can I buy (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.