CBKinase1_004732
TL;DR: CBKinase1_004732 (CAS 690642-51-4) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 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-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide
Also Known As: CBKinase1_004732, CBKinase1_017132, VU0618190-1, AB01250345-02, BRD-K68291915-001-01-1
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 4.4622 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1066.7511 |
Chemical Identifiers
| CAS Number | 690642-51-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=NC=N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
CBKinase1_004732 (CAS 690642-51-4), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-ylsulfanyl)acetamide.
Chemical Property Profile of CBKinase1_004732
Property Insights of CBKinase1_004732
The XLogP value of 4.4622 indicates that CBKinase1_004732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004732. Following Lipinski's Rule of Five, CBKinase1_004732 has 1 hydrogen bond donor(s) and 7 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_004732?
The CAS number of CBKinase1_004732 is 690642-51-4.
What is the molecular formula of CBKinase1_004732?
The molecular formula of CBKinase1_004732 is C21H21N3O3S2.
What is the molecular weight of CBKinase1_004732?
The molecular weight of CBKinase1_004732 is 427.10 g/mol.
Where can I buy CBKinase1_004732?
You can request a quote for CBKinase1_004732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004732?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.