RefChem:232380
TL;DR: RefChem:232380 (CAS 63978-80-3) is a chemical compound with molecular formula C20H22BrClF3NO and molecular weight 463.05255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-chloro-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium bromide
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-(3-trifluoromethylbenzyloxy)-, hydrobromide, 1-NAPHTHYLAMINE, 1,2,3,4-TETRAHYDRO-8-CHLORO-N,N-DIMETHYL-5-(3-TRIFLUOROMETHYLBE, [8-chloro-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium bromide, 1-Naphthalenamine, 8-chloro-1,2,3,4-tetrahydro-N,N-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-, hydrobromide
Technical Specifications
| Molecular Formula | C20H22BrClF3NO |
| Molecular Weight | 463.05255 g/mol |
| XLogP | 1.46 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.05255 Da |
| Heavy Atoms | 27 |
| Complexity | 459.0 |
| SMILES | C[NH+](C)C1CCCC2=C(C=CC(=C12)Cl)OCC3=CC(=CC=C3)C(F)(F)F.[Br-] |
| InChIKey | UUDKPZFKHOHPJC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:232380
Property Insights of RefChem:232380
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:232380. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:232380 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232380 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:232380?
The CAS number of RefChem:232380 is 63978-80-3.
What is the molecular formula of RefChem:232380?
The molecular formula of RefChem:232380 is C20H22BrClF3NO.
What is the molecular weight of RefChem:232380?
The molecular weight of RefChem:232380 is 463.05255 g/mol.
Where can I buy RefChem:232380?
You can request a quote for RefChem:232380 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:232380?
Yes, CoreyChem provides custom synthesis services for RefChem:232380 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.