![3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one structure](/static/products/5730/5730-97-2.webp)
3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one (CAS 5730-97-2) is a chemical compound with molecular formula C18H14N2O4S2 and molecular weight 386.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-{[5-(2-METHYL-4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H14N2O4S2 |
|---|---|
| Molecular Weight | 386.04 g/mol |
| LogP | 4.55042 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0395 |
| Heavy Atoms | 26 |
| Complexity | 961.85077 |
Chemical Identifiers
| CAS Number | 5730-97-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=S)S3)CC=C |
Product Overview
3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one (CAS 5730-97-2), with molecular formula C18H14N2O4S2 and molecular weight 386.04 g/mol. IUPAC: (5Z)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.55042 indicates that 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one 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 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one is 5730-97-2.
What is the molecular formula of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one is C18H14N2O4S2.
What is the molecular weight of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one is 386.04 g/mol.
Where can I buy 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-5-{[5-(2-methyl-4-nitrophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.