2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- (CAS 116337-70-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-, 7-Acetyl-2,2,4-trimethyl-2H-1,4-benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one, 2,2,4-Trimethyl-7-acetyl-4H-1,4-benzoxazin-3(2H)-one, 7-acetyl-2,2,4-trimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.023 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 505.38608 |
Chemical Identifiers
| CAS Number | 116337-70-3 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)(C)C)C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- (CAS 116337-70-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 7-acetyl-2,2,4-trimethyl-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-
The XLogP value of 2.023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-. With a topological polar surface area (TPSA) of 46.61 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- 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-acetyl-2,2,4-trimethyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- is 116337-70-3.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- is C13H15NO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- is 233.11 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- 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-acetyl-2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.