CBKinase1_005717
TL;DR: CBKinase1_005717 (CAS 690961-58-1) is a chemical compound with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: CBKinase1_005717, CBKinase1_018117, VU0618211-1, F3394-0732, BRD-K51646145-001-01-7
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 4.46834 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1262.094 |
Chemical Identifiers
| CAS Number | 690961-58-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3 |
Product Overview
CBKinase1_005717 (CAS 690961-58-1), with molecular formula C21H20N4O3S2 and molecular weight 440.10 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_005717
Property Insights of CBKinase1_005717
The XLogP value of 4.46834 indicates that CBKinase1_005717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005717. Following Lipinski's Rule of Five, CBKinase1_005717 has 1 hydrogen bond donor(s) and 7 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_005717?
The CAS number of CBKinase1_005717 is 690961-58-1.
What is the molecular formula of CBKinase1_005717?
The molecular formula of CBKinase1_005717 is C21H20N4O3S2.
What is the molecular weight of CBKinase1_005717?
The molecular weight of CBKinase1_005717 is 440.10 g/mol.
Where can I buy CBKinase1_005717?
You can request a quote for CBKinase1_005717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005717?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.