2-(Trifluoroacetylamino)anthraquinone
TL;DR: 2-(Trifluoroacetylamino)anthraquinone (CAS 84586-27-6) is a chemical compound with molecular formula C16H8F3NO3 and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(9,10-dioxoanthracen-2-yl)-2,2,2-trifluoroacetamide
Also Known As: 2-(trifluoroacetylamino)anthraquinone, 3-(2-nitroprop-1-enyl)-1H-indole, 2-(Trifluoroacetylamino)-9,10-anthraquinone, J2.642.021K, N-(9,10-dioxoanthracen-2-yl)-2,2,2-trifluoroacetamide
| Molecular Formula | C16H8F3NO3 |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.04562 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 84586-27-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C(F)(F)F |
| InChIKey | ONWUMWVQEZTHKW-UHFFFAOYSA-N |
Product Overview
2-(Trifluoroacetylamino)anthraquinone (CAS 84586-27-6), with molecular formula C16H8F3NO3 and molecular weight 319.05 g/mol. IUPAC: N-(9,10-dioxoanthracen-2-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of 2-(Trifluoroacetylamino)anthraquinone
Property Insights of 2-(Trifluoroacetylamino)anthraquinone
The XLogP value of 3.2 indicates that 2-(Trifluoroacetylamino)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Trifluoroacetylamino)anthraquinone. Following Lipinski's Rule of Five, 2-(Trifluoroacetylamino)anthraquinone has 1 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 2-(Trifluoroacetylamino)anthraquinone?
The CAS number of 2-(Trifluoroacetylamino)anthraquinone is 84586-27-6.
What is the molecular formula of 2-(Trifluoroacetylamino)anthraquinone?
The molecular formula of 2-(Trifluoroacetylamino)anthraquinone is C16H8F3NO3.
What is the molecular weight of 2-(Trifluoroacetylamino)anthraquinone?
The molecular weight of 2-(Trifluoroacetylamino)anthraquinone is 319.05 g/mol.
Where can I buy 2-(Trifluoroacetylamino)anthraquinone?
You can request a quote for 2-(Trifluoroacetylamino)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoroacetylamino)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoroacetylamino)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.