5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
TL;DR: 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- (CAS 117734-17-5) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-4-(thiophen-2-ylmethylidene)-1,2-oxazol-5-one
Also Known As: 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-, 3-phenyl-4-(thiophen-2-ylmethylidene)-1,2-oxazol-5-one, 3-phenyl-4-
Technical Specifications
| Molecular Formula | C14H9NO2S |
| Molecular Weight | 255.0354 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.0354 Da |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
| SMILES | C1=CC=C(C=C1)C2=NOC(=O)C2=CC3=CC=CS3 |
| InChIKey | IXRPGYBAKTZNEU-UHFFFAOYSA-N |
Chemical Property Profile of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
Property Insights of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
The XLogP value of 3.6 indicates that 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-. Following Lipinski's Rule of Five, 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-?
The CAS number of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- is 117734-17-5.
What is the molecular formula of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-?
The molecular formula of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- is C14H9NO2S.
What is the molecular weight of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-?
The molecular weight of 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- is 255.0354 g/mol.
Where can I buy 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-?
You can request a quote for 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-?
Yes, CoreyChem provides custom synthesis services for 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.