CBKinase1_000612
TL;DR: CBKinase1_000612 (CAS 296800-70-9) is a chemical compound with molecular formula C20H16N6OS2 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Also Known As: CBKinase1_000612, CBKinase1_013012, BAS 01313632, AB00091433-01, BRD-K26477346-001-01-6
| Molecular Formula | C20H16N6OS2 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 4.04888 |
| Topological Polar Surface Area | 107.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.0827 |
| Heavy Atoms | 29 |
| Complexity | 1285.5923 |
Chemical Identifiers
| CAS Number | 296800-70-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3)C#N |
Product Overview
CBKinase1_000612 (CAS 296800-70-9), with molecular formula C20H16N6OS2 and molecular weight 420.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide.
Chemical Property Profile of CBKinase1_000612
Property Insights of CBKinase1_000612
The XLogP value of 4.04888 indicates that CBKinase1_000612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.35 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000612. Following Lipinski's Rule of Five, CBKinase1_000612 has 2 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_000612?
The CAS number of CBKinase1_000612 is 296800-70-9.
What is the molecular formula of CBKinase1_000612?
The molecular formula of CBKinase1_000612 is C20H16N6OS2.
What is the molecular weight of CBKinase1_000612?
The molecular weight of CBKinase1_000612 is 420.08 g/mol.
Where can I buy CBKinase1_000612?
You can request a quote for CBKinase1_000612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000612?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.