Opera_ID_1855
TL;DR: Opera_ID_1855 (CAS 1164515-91-6) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)butanoic acid, 4-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-{5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-2,4-dioxo-thiazolidin-3-yl}-butyric acid, 4-[(5Z)-2,4-diketo-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]thiazolidin-3-yl]butyric acid, 4-[(5Z)-5-[(E)-2-methyl-3-phenyl-prop-2-enylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]butanoic acid
Technical Specifications
| Molecular Formula | C17H17NO4S |
| Molecular Weight | 331.08783 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 Da |
| Heavy Atoms | 23 |
| Complexity | 547.0 |
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=O)S2)CCCC(=O)O |
| InChIKey | GYNBIQYSIWHSCB-MQZPGMTCSA-N |
Chemical Property Profile of Opera_ID_1855
Property Insights of Opera_ID_1855
The XLogP value of 3.5 indicates that Opera_ID_1855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_1855. Following Lipinski's Rule of Five, Opera_ID_1855 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 Opera_ID_1855?
The CAS number of Opera_ID_1855 is 1164515-91-6.
What is the molecular formula of Opera_ID_1855?
The molecular formula of Opera_ID_1855 is C17H17NO4S.
What is the molecular weight of Opera_ID_1855?
The molecular weight of Opera_ID_1855 is 331.08783 g/mol.
Where can I buy Opera_ID_1855?
You can request a quote for Opera_ID_1855 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Opera_ID_1855?
Yes, CoreyChem provides custom synthesis services for Opera_ID_1855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.