CBKinase1_010507
TL;DR: CBKinase1_010507 (CAS 1042696-94-5) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
Also Known As: CBKinase1_010507, CBKinase1_022907, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide, BRD-A23763184-001-01-9, 2-[1-(anilinocarbonothioyl)-3-oxo-2-piperazinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 1.9838 |
| Topological Polar Surface Area | 91.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 953.27747 |
Chemical Identifiers
| CAS Number | 1042696-94-5 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=S)NC4=CC=CC=C4 |
Product Overview
CBKinase1_010507 (CAS 1042696-94-5), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide.
Chemical Property Profile of CBKinase1_010507
Property Insights of CBKinase1_010507
The XLogP value of 1.9838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010507. The TPSA of 91.93 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010507. Following Lipinski's Rule of Five, CBKinase1_010507 has 3 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_010507?
The CAS number of CBKinase1_010507 is 1042696-94-5.
What is the molecular formula of CBKinase1_010507?
The molecular formula of CBKinase1_010507 is C21H22N4O4S.
What is the molecular weight of CBKinase1_010507?
The molecular weight of CBKinase1_010507 is 426.14 g/mol.
Where can I buy CBKinase1_010507?
You can request a quote for CBKinase1_010507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010507?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.