(3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone
TL;DR: (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone (CAS 123172-49-6) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzoyl-2-methyl-4H-1,4-benzoxazin-3-one
Also Known As: (+-)-7-Benzoyl-2-methyl-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-2-methyl-, (+-)-, 7-benzoyl-2-methyl-4H-1,4-benzoxazin-3-one, (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone, BRN 5960974
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
| SMILES | CC1C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | JKWSYIDKCIEIMG-UHFFFAOYSA-N |
Chemical Property Profile of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone
Property Insights of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone. With a topological polar surface area (TPSA) of 55.4 Ų, (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone has 1 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-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone?
The CAS number of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone is 123172-49-6.
What is the molecular formula of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone?
The molecular formula of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone is C16H13NO3.
What is the molecular weight of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone?
The molecular weight of (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone is 267.08954 g/mol.
Where can I buy (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone?
You can request a quote for (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone?
Yes, CoreyChem provides custom synthesis services for (3-Hydroxy-2-methyl-2H-1,4-benzoxazin-7-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.