3-(三氟甲基)-1-异喹啉胺
TL;DR: 3-(三氟甲基)-1-异喹啉胺 (CAS 58814-43-0) is a chemical compound with molecular formula C10H7F3N2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(三氟甲基)-1-异喹啉胺
3-(trifluoromethyl)isoquinolin-1-amine
Also Known As: 3-(trifluoromethyl)isoquinolin-1-amine, 1-Isoquinolinamine, 3-(trifluoromethyl)-, 3-(trifluoromethyl)-1-isoquinolinylamine, AM-814/41094369
| Molecular Formula | C10H7F3N2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.05614 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 58814-43-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N=C2N)C(F)(F)F |
| InChIKey | RQSLDKMQAXIEDQ-UHFFFAOYSA-N |
Product Overview
3-(三氟甲基)-1-异喹啉胺 (CAS 58814-43-0), with molecular formula C10H7F3N2 and molecular weight 212.06 g/mol. IUPAC: 3-(trifluoromethyl)isoquinolin-1-amine.
Chemical Property Profile of 3-(三氟甲基)-1-异喹啉胺
Property Insights of 3-(三氟甲基)-1-异喹啉胺
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(三氟甲基)-1-异喹啉胺. With a topological polar surface area (TPSA) of 38.9 Ų, 3-(三氟甲基)-1-异喹啉胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(三氟甲基)-1-异喹啉胺 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
Frequently Asked Questions
What is the CAS number of 3-(三氟甲基)-1-异喹啉胺?
The CAS number of 3-(三氟甲基)-1-异喹啉胺 is 58814-43-0.
What is the molecular formula of 3-(三氟甲基)-1-异喹啉胺?
The molecular formula of 3-(三氟甲基)-1-异喹啉胺 is C10H7F3N2.
What is the molecular weight of 3-(三氟甲基)-1-异喹啉胺?
The molecular weight of 3-(三氟甲基)-1-异喹啉胺 is 212.06 g/mol.
Where can I buy 3-(三氟甲基)-1-异喹啉胺?
You can request a quote for 3-(三氟甲基)-1-异喹啉胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(三氟甲基)-1-异喹啉胺?
Yes, KEHONG BIO provides custom synthesis services for 3-(三氟甲基)-1-异喹啉胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.