CBKinase1_003278
TL;DR: CBKinase1_003278 (CAS 442865-33-0) is a chemical compound with molecular formula C21H17N5OS2 and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Also Known As: CBKinase1_003278, CBKinase1_015678, AF-399/40920962, BRD-K33617488-001-01-6, F1174-1045
| Molecular Formula | C21H17N5OS2 |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 4.3436 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.08746 |
| Heavy Atoms | 29 |
| Complexity | 1314.341 |
Chemical Identifiers
| CAS Number | 442865-33-0 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C5=C(S4)CCC5)C#N |
Product Overview
CBKinase1_003278 (CAS 442865-33-0), with molecular formula C21H17N5OS2 and molecular weight 419.09 g/mol. IUPAC: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003278
Property Insights of CBKinase1_003278
The XLogP value of 4.3436 indicates that CBKinase1_003278 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003278. Following Lipinski's Rule of Five, CBKinase1_003278 has 1 hydrogen bond donor(s) and 6 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_003278?
The CAS number of CBKinase1_003278 is 442865-33-0.
What is the molecular formula of CBKinase1_003278?
The molecular formula of CBKinase1_003278 is C21H17N5OS2.
What is the molecular weight of CBKinase1_003278?
The molecular weight of CBKinase1_003278 is 419.09 g/mol.
Where can I buy CBKinase1_003278?
You can request a quote for CBKinase1_003278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003278?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.