N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide
TL;DR: N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide (CAS 445413-83-2) is a chemical compound with molecular formula C10H5F3N2O3 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide
Also Known As: 4-trifluoroacetylaminophthalimide, N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide, AN-465/40903708, N-(1,3-Dioxoisoindolin-5-yl)-2,2,2-trifluoroacetamide, N-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2,2,2-trifluoroacetamide
| Molecular Formula | C10H5F3N2O3 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 1.071 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.02524 |
| Heavy Atoms | 18 |
| Complexity | 565.9766 |
Chemical Identifiers
| CAS Number | 445413-83-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1NC(=O)C(F)(F)F)C(=O)NC2=O |
Product Overview
N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide (CAS 445413-83-2), with molecular formula C10H5F3N2O3 and molecular weight 258.03 g/mol. IUPAC: N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide
Property Insights of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide
The XLogP value of 1.071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide. Following Lipinski's Rule of Five, N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide has 2 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 N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide?
The CAS number of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide is 445413-83-2.
What is the molecular formula of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide is C10H5F3N2O3.
What is the molecular weight of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide is 258.03 g/mol.
Where can I buy N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-dioxoisoindol-5-yl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.