CBKinase1_004666
TL;DR: CBKinase1_004666 (CAS 694506-62-2) is a chemical compound with molecular formula C19H21Cl2N3O3S and molecular weight 441.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
Also Known As: CBKinase1_004666, CBKinase1_017066, AO-081/42097478, 4-chloro-N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide, BRD-K03780797-001-01-4
| Molecular Formula | C19H21Cl2N3O3S |
|---|---|
| Molecular Weight | 441.07 g/mol |
| LogP | 2.9627 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.06805 |
| Heavy Atoms | 28 |
| Complexity | 943.1511 |
Chemical Identifiers
| CAS Number | 694506-62-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_004666 (CAS 694506-62-2), with molecular formula C19H21Cl2N3O3S and molecular weight 441.07 g/mol. IUPAC: 4-chloro-N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
Chemical Property Profile of CBKinase1_004666
Property Insights of CBKinase1_004666
The XLogP value of 2.9627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004666. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004666. Following Lipinski's Rule of Five, CBKinase1_004666 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_004666?
The CAS number of CBKinase1_004666 is 694506-62-2.
What is the molecular formula of CBKinase1_004666?
The molecular formula of CBKinase1_004666 is C19H21Cl2N3O3S.
What is the molecular weight of CBKinase1_004666?
The molecular weight of CBKinase1_004666 is 441.07 g/mol.
Where can I buy CBKinase1_004666?
You can request a quote for CBKinase1_004666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004666?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.