CBKinase1_009057
TL;DR: CBKinase1_009057 (CAS 494196-99-5) is a chemical compound with molecular formula C22H18F3N3OS and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
Also Known As: CBKinase1_009057, CBKinase1_021457, BAS 02862937, F1625-0064, BRD-K22754922-001-01-4
| Molecular Formula | C22H18F3N3OS |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 5.2339 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.11227 |
| Heavy Atoms | 30 |
| Complexity | 1056.9934 |
Chemical Identifiers
| CAS Number | 494196-99-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
CBKinase1_009057 (CAS 494196-99-5), with molecular formula C22H18F3N3OS and molecular weight 429.11 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.
Chemical Property Profile of CBKinase1_009057
Property Insights of CBKinase1_009057
The XLogP value of 5.2339 indicates that CBKinase1_009057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, CBKinase1_009057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_009057 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_009057?
The CAS number of CBKinase1_009057 is 494196-99-5.
What is the molecular formula of CBKinase1_009057?
The molecular formula of CBKinase1_009057 is C22H18F3N3OS.
What is the molecular weight of CBKinase1_009057?
The molecular weight of CBKinase1_009057 is 429.11 g/mol.
Where can I buy CBKinase1_009057?
You can request a quote for CBKinase1_009057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009057?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.