CBKinase1_006018
TL;DR: CBKinase1_006018 (CAS 637320-49-1) is a chemical compound with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetylphenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide
Also Known As: CBKinase1_006018, CBKinase1_018418, BRD-K25791613-001-01-7, N-(3-acetylphenyl)-4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)piperazine-1-carbothioamide, N-(3-acetylphenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-1-piperazinecarbothioamide
| Molecular Formula | C27H26N4O3S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 3.653 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.17258 |
| Heavy Atoms | 35 |
| Complexity | 1296.5107 |
Chemical Identifiers
| CAS Number | 637320-49-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
CBKinase1_006018 (CAS 637320-49-1), with molecular formula C27H26N4O3S and molecular weight 486.17 g/mol. IUPAC: N-(3-acetylphenyl)-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazine-1-carbothioamide.
Chemical Property Profile of CBKinase1_006018
Property Insights of CBKinase1_006018
The XLogP value of 3.653 indicates that CBKinase1_006018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.96 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_006018. Following Lipinski's Rule of Five, CBKinase1_006018 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_006018?
The CAS number of CBKinase1_006018 is 637320-49-1.
What is the molecular formula of CBKinase1_006018?
The molecular formula of CBKinase1_006018 is C27H26N4O3S.
What is the molecular weight of CBKinase1_006018?
The molecular weight of CBKinase1_006018 is 486.17 g/mol.
Where can I buy CBKinase1_006018?
You can request a quote for CBKinase1_006018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_006018?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_006018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.