CBKinase1_008574
TL;DR: CBKinase1_008574 (CAS 626228-63-5) is a chemical compound with molecular formula C18H21F3N2O2S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]butanoate
Also Known As: CBKinase1_008574, CBKinase1_020974, ethyl 4-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}butanoate, AM-807/41624538, ethyl 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]butanoate
| Molecular Formula | C18H21F3N2O2S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 4.53228 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1276 |
| Heavy Atoms | 26 |
| Complexity | 713.85846 |
Chemical Identifiers
| CAS Number | 626228-63-5 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NC2=C(CC(CC2)C)C(=C1C#N)C(F)(F)F |
Product Overview
CBKinase1_008574 (CAS 626228-63-5), with molecular formula C18H21F3N2O2S and molecular weight 386.13 g/mol. IUPAC: ethyl 4-[[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]butanoate.
Chemical Property Profile of CBKinase1_008574
Property Insights of CBKinase1_008574
The XLogP value of 4.53228 indicates that CBKinase1_008574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008574. Following Lipinski's Rule of Five, CBKinase1_008574 has 0 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 CBKinase1_008574?
The CAS number of CBKinase1_008574 is 626228-63-5.
What is the molecular formula of CBKinase1_008574?
The molecular formula of CBKinase1_008574 is C18H21F3N2O2S.
What is the molecular weight of CBKinase1_008574?
The molecular weight of CBKinase1_008574 is 386.13 g/mol.
Where can I buy CBKinase1_008574?
You can request a quote for CBKinase1_008574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008574?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.