![2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione structure](/static/products/6332/633288-72-9.webp)
2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
TL;DR: 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione (CAS 633288-72-9) is a chemical compound with molecular formula C18H12F3NO3 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
Also Known As: 2-methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione, A3292/0140055, 2-methoxy-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione, 2-methoxy-3-{[3-(trifluoromethyl)phenyl]amino}naphthalene-1,4-dione, 2-METHOXY-3-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}-1,4-DIHYDRONAPHTHALENE-1,4-DIONE
| Molecular Formula | C18H12F3NO3 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.07693 |
| Heavy Atoms | 25 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 633288-72-9 |
|---|---|
| SMILES | COC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | NROZTYLBXWWHCH-UHFFFAOYSA-N |
Product Overview
2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione (CAS 633288-72-9), with molecular formula C18H12F3NO3 and molecular weight 347.08 g/mol. IUPAC: 2-methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione.
Chemical Property Profile of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
Property Insights of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
The XLogP value of 4.3 indicates that 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 7 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 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione?
The CAS number of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione is 633288-72-9.
What is the molecular formula of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione?
The molecular formula of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione is C18H12F3NO3.
What is the molecular weight of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione?
The molecular weight of 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione is 347.08 g/mol.
Where can I buy 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione?
You can request a quote for 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.