CBKinase1_004899
TL;DR: CBKinase1_004899 (CAS 694508-56-0) is a chemical compound with molecular formula C20H21ClF3N3O3S and molecular weight 475.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
Also Known As: CBKinase1_004899, CBKinase1_017299, N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide, BRD-K10971844-001-01-3
| Molecular Formula | C20H21ClF3N3O3S |
|---|---|
| Molecular Weight | 475.09 g/mol |
| LogP | 3.3281 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.09442 |
| Heavy Atoms | 31 |
| Complexity | 1040.6259 |
Chemical Identifiers
| CAS Number | 694508-56-0 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
CBKinase1_004899 (CAS 694508-56-0), with molecular formula C20H21ClF3N3O3S and molecular weight 475.09 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
Chemical Property Profile of CBKinase1_004899
Property Insights of CBKinase1_004899
The XLogP value of 3.3281 indicates that CBKinase1_004899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004899. Following Lipinski's Rule of Five, CBKinase1_004899 has 0 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_004899?
The CAS number of CBKinase1_004899 is 694508-56-0.
What is the molecular formula of CBKinase1_004899?
The molecular formula of CBKinase1_004899 is C20H21ClF3N3O3S.
What is the molecular weight of CBKinase1_004899?
The molecular weight of CBKinase1_004899 is 475.09 g/mol.
Where can I buy CBKinase1_004899?
You can request a quote for CBKinase1_004899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004899?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.