![2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one structure](/static/products/3117/311795-36-5.webp)
2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
TL;DR: 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CAS 311795-36-5) is a chemical compound with molecular formula C26H22F3NO and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one, 2,2-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one, A1561/0068041, 2,2-DIMETHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE, 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one #
| Molecular Formula | C26H22F3NO |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 421.16534 |
| Heavy Atoms | 31 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 311795-36-5 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)C(F)(F)F)C(=O)C1)C |
| InChIKey | AMWSUGFUPWMVGV-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CAS 311795-36-5), with molecular formula C26H22F3NO and molecular weight 421.17 g/mol. IUPAC: 2,2-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
Chemical Property Profile of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Property Insights of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
The XLogP value of 6.3 indicates that 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The CAS number of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is 311795-36-5.
What is the molecular formula of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The molecular formula of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is C26H22F3NO.
What is the molecular weight of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
The molecular weight of 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one is 421.17 g/mol.
Where can I buy 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
You can request a quote for 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.