1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid
TL;DR: 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid (CAS 161806-28-6) is a chemical compound with molecular formula C23H18N4O3S and molecular weight 430.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(1H-indol-3-yl)acetyl]-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Barbituric acid, 1-(cinnamylideneamino)-3-(3-indolylacetyl)-2-thio-, 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid, 4,6(1H,3H)-Pyrimidinedione, dihydro-1-(1H-indol-3-ylacetyl)-3-((3-phenyl-2-propenylidene)amino)-2-thioxo-, 1-[(3-Phenyl-2-propenylidene)amino]-2-thioxo-3-[(1H-indol-3-yl)acetyl]-2,3-dihydropyrimidine-4,6(1H,5H)-dione, 1-[2-(1H-indol-3-yl)acetyl]-3-[(3-phenylprop-2-en-1-ylidene)amino]-2-sulfanylidene-1,3-diazinane-4,6-dione
Technical Specifications
| Molecular Formula | C23H18N4O3S |
| Molecular Weight | 430.10995 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.10995 Da |
| Heavy Atoms | 31 |
| Complexity | 790.0 |
| SMILES | C1C(=O)N(C(=S)N(C1=O)/N=C/C=C/C2=CC=CC=C2)C(=O)CC3=CNC4=CC=CC=C43 |
| InChIKey | NAQZRAMLLFPGOG-RQTKGAAPSA-N |
Chemical Property Profile of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid
Property Insights of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid
The XLogP value of 3.4 indicates that 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid. Following Lipinski's Rule of Five, 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid?
The CAS number of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid is 161806-28-6.
What is the molecular formula of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid?
The molecular formula of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid is C23H18N4O3S.
What is the molecular weight of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid?
The molecular weight of 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid is 430.10995 g/mol.
Where can I buy 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid?
You can request a quote for 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid?
Yes, CoreyChem provides custom synthesis services for 1-(Cinnamylideneamino)-3-(3-indolylacetyl)-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.