![2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone structure](/static/products/4000/400076-70-2.webp)
2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone
TL;DR: 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone (CAS 400076-70-2) is a chemical compound with molecular formula C19H13FO3 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylnaphthalene-1,4-dione
Also Known As: 2-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone, 12E-953, 2-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylnaphthalene-1,4-dione, 2-[2-(2-fluorophenyl)-2-oxoethyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C19H13FO3 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 3.7942 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.08487 |
| Heavy Atoms | 23 |
| Complexity | 877.6884 |
Chemical Identifiers
| CAS Number | 400076-70-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC=CC=C3F |
Product Overview
2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone (CAS 400076-70-2), with molecular formula C19H13FO3 and molecular weight 308.08 g/mol. IUPAC: 2-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylnaphthalene-1,4-dione.
Chemical Property Profile of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone
Property Insights of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone
The XLogP value of 3.7942 indicates that 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone 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 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone?
The CAS number of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone is 400076-70-2.
What is the molecular formula of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone?
The molecular formula of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone is C19H13FO3.
What is the molecular weight of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone?
The molecular weight of 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone is 308.08 g/mol.
Where can I buy 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone?
You can request a quote for 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-Fluorophenyl)-2-oxoethyl]-3-methylnaphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.