CBKinase1_002672
TL;DR: CBKinase1_002672 (CAS 671199-43-2) is a chemical compound with molecular formula C20H15F3N4OS and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_002672, CBKinase1_015072, BAS 04454409, BRD-K19114444-001-01-5, 2-({4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
| Molecular Formula | C20H15F3N4OS |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 4.94052 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.09186 |
| Heavy Atoms | 29 |
| Complexity | 1219.5233 |
Chemical Identifiers
| CAS Number | 671199-43-2 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
CBKinase1_002672 (CAS 671199-43-2), with molecular formula C20H15F3N4OS and molecular weight 416.09 g/mol. IUPAC: 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_002672
Property Insights of CBKinase1_002672
The XLogP value of 4.94052 indicates that CBKinase1_002672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, CBKinase1_002672 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002672 has 1 hydrogen bond donor(s) and 4 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 CBKinase1_002672?
The CAS number of CBKinase1_002672 is 671199-43-2.
What is the molecular formula of CBKinase1_002672?
The molecular formula of CBKinase1_002672 is C20H15F3N4OS.
What is the molecular weight of CBKinase1_002672?
The molecular weight of CBKinase1_002672 is 416.09 g/mol.
Where can I buy CBKinase1_002672?
You can request a quote for CBKinase1_002672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002672?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.