CBKinase1_004514
TL;DR: CBKinase1_004514 (CAS 586989-46-0) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Also Known As: CBKinase1_004514, CBKinase1_016914, BAS 06740653, BRD-K30628515-001-01-3, N-{3-[methyl(methylsulfonyl)amino]phenyl}-2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamide
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 2.8345 |
| Topological Polar Surface Area | 86.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 1248.5209 |
Chemical Identifiers
| CAS Number | 586989-46-0 |
|---|---|
| SMILES | CN(C1=CC=CC(=C1)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C |
Product Overview
CBKinase1_004514 (CAS 586989-46-0), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
Chemical Property Profile of CBKinase1_004514
Property Insights of CBKinase1_004514
The XLogP value of 2.8345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004514. The TPSA of 86.79 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004514. Following Lipinski's Rule of Five, CBKinase1_004514 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_004514?
The CAS number of CBKinase1_004514 is 586989-46-0.
What is the molecular formula of CBKinase1_004514?
The molecular formula of CBKinase1_004514 is C21H19N3O4S.
What is the molecular weight of CBKinase1_004514?
The molecular weight of CBKinase1_004514 is 409.11 g/mol.
Where can I buy CBKinase1_004514?
You can request a quote for CBKinase1_004514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004514?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.