CBKinase1_004298
TL;DR: CBKinase1_004298 (CAS 694474-31-2) is a chemical compound with molecular formula C27H22N4O4 and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
Also Known As: CBKinase1_004298, CBKinase1_016698, BRD-K79376680-001-01-0, 2-(1,3-dioxoisoindol-2-yl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]acetamide
| Molecular Formula | C27H22N4O4 |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 2.82132 |
| Topological Polar Surface Area | 101.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.1641 |
| Heavy Atoms | 35 |
| Complexity | 1553.1642 |
Chemical Identifiers
| CAS Number | 694474-31-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
CBKinase1_004298 (CAS 694474-31-2), with molecular formula C27H22N4O4 and molecular weight 466.16 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide.
Chemical Property Profile of CBKinase1_004298
Property Insights of CBKinase1_004298
The XLogP value of 2.82132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004298. The TPSA of 101.37 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004298. Following Lipinski's Rule of Five, CBKinase1_004298 has 1 hydrogen bond donor(s) and 5 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_004298?
The CAS number of CBKinase1_004298 is 694474-31-2.
What is the molecular formula of CBKinase1_004298?
The molecular formula of CBKinase1_004298 is C27H22N4O4.
What is the molecular weight of CBKinase1_004298?
The molecular weight of CBKinase1_004298 is 466.16 g/mol.
Where can I buy CBKinase1_004298?
You can request a quote for CBKinase1_004298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004298?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.