![6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one structure](/static/products/4072/40728-67-4.webp)
6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
TL;DR: 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one (CAS 40728-67-4) is a chemical compound with molecular formula C16H10F3NO2 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one
Also Known As: 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one, 6-methyl-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one, 6-Methyl-2-(3-(Trifluoromethyl)phenyl)-4H-3,1-benzoxazin-4-one, AA-768/34978018
| Molecular Formula | C16H10F3NO2 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.06638 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 40728-67-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)C(F)(F)F |
| InChIKey | BPPQHFRCYWDKES-UHFFFAOYSA-N |
Product Overview
6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one (CAS 40728-67-4), with molecular formula C16H10F3NO2 and molecular weight 305.07 g/mol. IUPAC: 6-methyl-2-[3-(trifluoromethyl)phenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
Property Insights of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
The XLogP value of 4.2 indicates that 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 6 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 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
The CAS number of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is 40728-67-4.
What is the molecular formula of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
The molecular formula of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is C16H10F3NO2.
What is the molecular weight of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
The molecular weight of 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one is 305.07 g/mol.
Where can I buy 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
You can request a quote for 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.