BRN 0466720
TL;DR: BRN 0466720 (CAS 40714-09-8) is a chemical compound with molecular formula C29H32F3N3O and molecular weight 495.24976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(diethylamino)ethyl]-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-phenylindol-2-one
Also Known As: 5-22-13-00142 (Beilstein Handbook Reference), 3-(2-(Diethylamino)ethyl)-3-phenyl-1-((o-trifluoromethylbenzyl)methylamino)-2-indolinone, 2-Indolinone, 3-(2-(diethylamino)ethyl)-3-phenyl-1-((o-trifluoromethylbenzyl)methylamino)-, 3-(2-diethylaminoethyl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-phenylindol-2-one, 3-[2-(Diethylamino)ethyl]-1-(methyl{[2-(trifluoromethyl)phenyl]methyl}amino)-3-phenyl-1,3-dihydro-2H-indol-2-one
Technical Specifications
| Molecular Formula | C29H32F3N3O |
| Molecular Weight | 495.24976 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.24976 Da |
| Heavy Atoms | 36 |
| Complexity | 721.0 |
| SMILES | CCN(CC)CCC1(C2=CC=CC=C2N(C1=O)N(C)CC3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4 |
| InChIKey | XTSLUTSCLFJVIK-UHFFFAOYSA-N |
Chemical Property Profile of BRN 0466720
Property Insights of BRN 0466720
The XLogP value of 6.2 indicates that BRN 0466720 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, BRN 0466720 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRN 0466720 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BRN 0466720?
The CAS number of BRN 0466720 is 40714-09-8.
What is the molecular formula of BRN 0466720?
The molecular formula of BRN 0466720 is C29H32F3N3O.
What is the molecular weight of BRN 0466720?
The molecular weight of BRN 0466720 is 495.24976 g/mol.
Where can I buy BRN 0466720?
You can request a quote for BRN 0466720 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BRN 0466720?
Yes, CoreyChem provides custom synthesis services for BRN 0466720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.