CBKinase1_004259
TL;DR: CBKinase1_004259 (CAS 694469-08-4) is a chemical compound with molecular formula C22H26N4O4S and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one
Also Known As: CBKinase1_004259, CBKinase1_016659, BAS 06635473, BRD-K17690338-001-01-5, 4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one
| Molecular Formula | C22H26N4O4S |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 1.20752 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.16748 |
| Heavy Atoms | 31 |
| Complexity | 1278.4008 |
Chemical Identifiers
| CAS Number | 694469-08-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCN(CC4)CCO |
Product Overview
CBKinase1_004259 (CAS 694469-08-4), with molecular formula C22H26N4O4S and molecular weight 442.17 g/mol. IUPAC: 4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methylphthalazin-1-one.
Chemical Property Profile of CBKinase1_004259
Property Insights of CBKinase1_004259
The XLogP value of 1.20752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004259. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004259. Following Lipinski's Rule of Five, CBKinase1_004259 has 1 hydrogen bond donor(s) and 6 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_004259?
The CAS number of CBKinase1_004259 is 694469-08-4.
What is the molecular formula of CBKinase1_004259?
The molecular formula of CBKinase1_004259 is C22H26N4O4S.
What is the molecular weight of CBKinase1_004259?
The molecular weight of CBKinase1_004259 is 442.17 g/mol.
Where can I buy CBKinase1_004259?
You can request a quote for CBKinase1_004259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004259?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.