vinyl 2-phenylbutanoate
TL;DR: vinyl 2-phenylbutanoate (CAS 58090-15-6) is a chemical compound with molecular formula C31H32N2O2S2 and molecular weight 528.1905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyclohexyl-5-[5-(3-ethyl-4,5-diphenyl-1,3-oxazol-2-ylidene)pent-3-en-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: vinyl 2-phenylbutanoate, 3-Cyclohexyl-5-[4-(3-ethyl-4,5-diphenyl-2(3H)-oxazolylidene)-1-methyl-2-buten-1-ylidene]-2-thioxo-4-thiazolidinone, 3-cyclohexyl-5-[5-(3-ethyl-4,5-diphenyl-1,3-oxazol-2-ylidene)pent-3-en-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-Cyclohexyl-5-(4-(3-ethyl-4,5-diphenyl-2(3H)-oxazolylidene)-1-methyl-2-buten-1-ylidene)-2-thioxo-4-thiazolidinone, 3-Cyclohexyl-5-(4-(3-ethyl-4,5-diphenyloxazol-2(3H)-ylidene)-1-methylbut-2-enylidene)-2-thioxothiazolidin-4-one
Technical Specifications
| Molecular Formula | C31H32N2O2S2 |
| Molecular Weight | 528.1905 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.1905 Da |
| Heavy Atoms | 37 |
| Complexity | 993.0 |
| SMILES | CCN1C(=CC=CC(=C2C(=O)N(C(=S)S2)C3CCCCC3)C)OC(=C1C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | CCVIWMKJHOBSDI-UHFFFAOYSA-N |
Chemical Property Profile of vinyl 2-phenylbutanoate
Property Insights of vinyl 2-phenylbutanoate
The XLogP value of 8.6 indicates that vinyl 2-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for vinyl 2-phenylbutanoate. Following Lipinski's Rule of Five, vinyl 2-phenylbutanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of vinyl 2-phenylbutanoate?
The CAS number of vinyl 2-phenylbutanoate is 58090-15-6.
What is the molecular formula of vinyl 2-phenylbutanoate?
The molecular formula of vinyl 2-phenylbutanoate is C31H32N2O2S2.
What is the molecular weight of vinyl 2-phenylbutanoate?
The molecular weight of vinyl 2-phenylbutanoate is 528.1905 g/mol.
Where can I buy vinyl 2-phenylbutanoate?
You can request a quote for vinyl 2-phenylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for vinyl 2-phenylbutanoate?
Yes, CoreyChem provides custom synthesis services for vinyl 2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.