Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate
TL;DR: Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate (CAS 900515-01-7) is a chemical compound with molecular formula C16H11NO5S and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
Also Known As: A inhibitor 6, PI3k, Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate, IDI1_019158, methyl 2-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
| Molecular Formula | C16H11NO5S |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 3.0571 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0358 |
| Heavy Atoms | 23 |
| Complexity | 836.5011 |
Chemical Identifiers
| CAS Number | 900515-01-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3 |
Product Overview
Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate (CAS 900515-01-7), with molecular formula C16H11NO5S and molecular weight 329.04 g/mol. IUPAC: methyl 2-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate
Property Insights of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 3.0571 indicates that Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, Methyl (Z)-2-(5-((2,4-dioxothiazolidin-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 Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is 900515-01-7.
What is the molecular formula of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is C16H11NO5S.
What is the molecular weight of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate is 329.04 g/mol.
Where can I buy Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for Methyl (Z)-2-(5-((2,4-dioxothiazolidin-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 Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (Z)-2-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.