2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- (CAS 116337-61-2) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzoyl-4-methyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-, 7-Benzoyl-4-methyl-2H-1,4-benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-1,4-benzoxazin-3-one, BRN 5966578, RefChem:267995
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.2728 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 679.3763 |
Chemical Identifiers
| CAS Number | 116337-61-2 |
|---|---|
| SMILES | CN1C(=O)COC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3 |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- (CAS 116337-61-2), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 7-benzoyl-4-methyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-
The XLogP value of 2.2728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-. With a topological polar surface area (TPSA) of 46.61 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- 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
Frequently Asked Questions
What is the CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- is 116337-61-2.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- is C16H13NO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- is 267.09 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.