Quinolinone deriv. 7a
TL;DR: Quinolinone deriv. 7a (CAS 364360-80-5) is a chemical compound with molecular formula C22H18ClF3N2O and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
Also Known As: Quinolinone deriv. 7a, J1.551.781F, (3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one, (3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-one, (3R)-3alpha-(Benzylamino)-4alpha-(trifluoromethyl)-4-(cyclopropylethynyl)-6-chloro-1,2,3,4-tetrahydroquinoline-2-one
| Molecular Formula | C22H18ClF3N2O |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.106 |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 364360-80-5 |
|---|---|
| SMILES | C1CC1C#C[C@@]2([C@H](C(=O)NC3=C2C=C(C=C3)Cl)NCC4=CC=CC=C4)C(F)(F)F |
| InChIKey | WGUIKGMVZBPELF-PZJWPPBQSA-N |
Product Overview
Quinolinone deriv. 7a (CAS 364360-80-5), with molecular formula C22H18ClF3N2O and molecular weight 418.11 g/mol. IUPAC: (3R,4R)-3-(benzylamino)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one.
Chemical Property Profile of Quinolinone deriv. 7a
Property Insights of Quinolinone deriv. 7a
The XLogP value of 5.1 indicates that Quinolinone deriv. 7a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Quinolinone deriv. 7a exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolinone deriv. 7a has 2 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 Quinolinone deriv. 7a?
The CAS number of Quinolinone deriv. 7a is 364360-80-5.
What is the molecular formula of Quinolinone deriv. 7a?
The molecular formula of Quinolinone deriv. 7a is C22H18ClF3N2O.
What is the molecular weight of Quinolinone deriv. 7a?
The molecular weight of Quinolinone deriv. 7a is 418.11 g/mol.
Where can I buy Quinolinone deriv. 7a?
You can request a quote for Quinolinone deriv. 7a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinone deriv. 7a?
Yes, KEHONG BIO provides custom synthesis services for Quinolinone deriv. 7a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.