CBKinase1_002184
TL;DR: CBKinase1_002184 (CAS 428448-99-1) is a chemical compound with molecular formula C21H23ClN4O4S and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Also Known As: CBKinase1_002184, CBKinase1_014584, BAS 02806817, BRD-K78256994-001-01-6, 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
| Molecular Formula | C21H23ClN4O4S |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 2.85094 |
| Topological Polar Surface Area | 93.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.11285 |
| Heavy Atoms | 31 |
| Complexity | 1296.9042 |
Chemical Identifiers
| CAS Number | 428448-99-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C)Cl |
Product Overview
CBKinase1_002184 (CAS 428448-99-1), with molecular formula C21H23ClN4O4S and molecular weight 462.11 g/mol. IUPAC: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
Chemical Property Profile of CBKinase1_002184
Property Insights of CBKinase1_002184
The XLogP value of 2.85094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002184. The TPSA of 93.41 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002184. Following Lipinski's Rule of Five, CBKinase1_002184 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_002184?
The CAS number of CBKinase1_002184 is 428448-99-1.
What is the molecular formula of CBKinase1_002184?
The molecular formula of CBKinase1_002184 is C21H23ClN4O4S.
What is the molecular weight of CBKinase1_002184?
The molecular weight of CBKinase1_002184 is 462.11 g/mol.
Where can I buy CBKinase1_002184?
You can request a quote for CBKinase1_002184 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002184?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.