CBKinase1_001558
TL;DR: CBKinase1_001558 (CAS 610282-78-5) is a chemical compound with molecular formula C28H29ClN2O4 and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: CBKinase1_001558, CBKinase1_013958, AF-399/14388049, BRD-A46340208-003-01-7, 2-((1-(3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C28H29ClN2O4 |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | 4.54952 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.18158 |
| Heavy Atoms | 35 |
| Complexity | 1218.297 |
Chemical Identifiers
| CAS Number | 610282-78-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O |
Product Overview
CBKinase1_001558 (CAS 610282-78-5), with molecular formula C28H29ClN2O4 and molecular weight 492.18 g/mol. IUPAC: 2-[[1-[3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of CBKinase1_001558
Property Insights of CBKinase1_001558
The XLogP value of 4.54952 indicates that CBKinase1_001558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001558. Following Lipinski's Rule of Five, CBKinase1_001558 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_001558?
The CAS number of CBKinase1_001558 is 610282-78-5.
What is the molecular formula of CBKinase1_001558?
The molecular formula of CBKinase1_001558 is C28H29ClN2O4.
What is the molecular weight of CBKinase1_001558?
The molecular weight of CBKinase1_001558 is 492.18 g/mol.
Where can I buy CBKinase1_001558?
You can request a quote for CBKinase1_001558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001558?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.