![2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione structure](/static/products/800/800401-72-3.png)
2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione
TL;DR: 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione (CAS 800401-72-3) is a chemical compound with molecular formula C16H9F2NO3 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-difluorophenyl)-2-oxoethyl]isoindole-1,3-dione
Also Known As: 2-[2-(3,4-difluorophenyl)-2-oxoethyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-[2-(3,4-difluorophenyl)-2-oxoethyl]-
| Molecular Formula | C16H9F2NO3 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 2.4437 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05505 |
| Heavy Atoms | 22 |
| Complexity | 781.78827 |
Chemical Identifiers
| CAS Number | 800401-72-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)C3=CC(=C(C=C3)F)F |
Product Overview
2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione (CAS 800401-72-3), with molecular formula C16H9F2NO3 and molecular weight 301.06 g/mol. IUPAC: 2-[2-(3,4-difluorophenyl)-2-oxoethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione
Property Insights of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione
The XLogP value of 2.4437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione 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-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The CAS number of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione is 800401-72-3.
What is the molecular formula of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The molecular formula of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione is C16H9F2NO3.
What is the molecular weight of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
The molecular weight of 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione is 301.06 g/mol.
Where can I buy 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
You can request a quote for 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,4-Difluorophenyl)-2-oxoethyl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.