CBKinase1_004679
TL;DR: CBKinase1_004679 (CAS 694496-69-0) is a chemical compound with molecular formula C20H22FN3O4S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
Also Known As: CBKinase1_004679, CBKinase1_017079, BRD-K12933131-001-01-3, 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide, N~2~-(3-fluorophenyl)-N~2~-(methylsulfonyl)-N-[2-(pyrrolidin-1-ylcarbonyl)phenyl]glycinamide
| Molecular Formula | C20H22FN3O4S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 2.4664 |
| Topological Polar Surface Area | 86.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1315 |
| Heavy Atoms | 29 |
| Complexity | 1019.8913 |
Chemical Identifiers
| CAS Number | 694496-69-0 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCC2)C3=CC(=CC=C3)F |
Product Overview
CBKinase1_004679 (CAS 694496-69-0), with molecular formula C20H22FN3O4S and molecular weight 419.13 g/mol. IUPAC: 2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
Chemical Property Profile of CBKinase1_004679
Property Insights of CBKinase1_004679
The XLogP value of 2.4664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004679. The TPSA of 86.79 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004679. Following Lipinski's Rule of Five, CBKinase1_004679 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_004679?
The CAS number of CBKinase1_004679 is 694496-69-0.
What is the molecular formula of CBKinase1_004679?
The molecular formula of CBKinase1_004679 is C20H22FN3O4S.
What is the molecular weight of CBKinase1_004679?
The molecular weight of CBKinase1_004679 is 419.13 g/mol.
Where can I buy CBKinase1_004679?
You can request a quote for CBKinase1_004679 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004679?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004679 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.