3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one (CAS 120007-45-6) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenacyl-1,3-benzoxazol-2-one
Also Known As: 3-phenacylbenzoxazolinone, Maybridge3_007182, 3-phenacyl-1,3-benzoxazol-2-one, 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one, BAS 00096972
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H11NO3 |
| Molecular Weight | 253.0739 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 Da |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3OC2=O |
| InChIKey | KCKLLFGTLMNMRU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one. With a topological polar surface area (TPSA) of 46.6 Ų, 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one is 120007-45-6.
What is the molecular formula of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one is C15H11NO3.
What is the molecular weight of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one is 253.0739 g/mol.
Where can I buy 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-oxo-2-phenylethyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.