3-Benzyl-5-methyl-3H-benzooxazol-2-one
TL;DR: 3-Benzyl-5-methyl-3H-benzooxazol-2-one (CAS 107235-17-6) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-5-methyl-1,3-benzoxazol-2-one
Also Known As: 3-Benzyl-5-methyl-3H-benzooxazol-2-one, 3-benzyl-5-methylbenzo[d]oxazol-2(3H)-one, 3-benzyl-5-methyl-1,3-benzoxazol-2-one, BAS 07089306, ZINC 00806272
Technical Specifications
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.09464 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.09464 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2CC3=CC=CC=C3 |
| InChIKey | OHZOKKGTLRVETE-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzyl-5-methyl-3H-benzooxazol-2-one
Property Insights of 3-Benzyl-5-methyl-3H-benzooxazol-2-one
The XLogP value of 3.2 indicates that 3-Benzyl-5-methyl-3H-benzooxazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Benzyl-5-methyl-3H-benzooxazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-methyl-3H-benzooxazol-2-one has 0 hydrogen bond donor(s) and 2 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-Benzyl-5-methyl-3H-benzooxazol-2-one?
The CAS number of 3-Benzyl-5-methyl-3H-benzooxazol-2-one is 107235-17-6.
What is the molecular formula of 3-Benzyl-5-methyl-3H-benzooxazol-2-one?
The molecular formula of 3-Benzyl-5-methyl-3H-benzooxazol-2-one is C15H13NO2.
What is the molecular weight of 3-Benzyl-5-methyl-3H-benzooxazol-2-one?
The molecular weight of 3-Benzyl-5-methyl-3H-benzooxazol-2-one is 239.09464 g/mol.
Where can I buy 3-Benzyl-5-methyl-3H-benzooxazol-2-one?
You can request a quote for 3-Benzyl-5-methyl-3H-benzooxazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzyl-5-methyl-3H-benzooxazol-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Benzyl-5-methyl-3H-benzooxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.