CBKinase1_007972
TL;DR: CBKinase1_007972 (CAS 690645-47-7) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
Also Known As: CBKinase1_007972, CBKinase1_020372, F3394-1071, BRD-K47026680-001-01-0, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3,4-dimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 4.82084 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1261.9868 |
Chemical Identifiers
| CAS Number | 690645-47-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)C4=CC5=C(C=C4)OCCO5)C |
Product Overview
CBKinase1_007972 (CAS 690645-47-7), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_007972
Property Insights of CBKinase1_007972
The XLogP value of 4.82084 indicates that CBKinase1_007972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007972. Following Lipinski's Rule of Five, CBKinase1_007972 has 0 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_007972?
The CAS number of CBKinase1_007972 is 690645-47-7.
What is the molecular formula of CBKinase1_007972?
The molecular formula of CBKinase1_007972 is C22H19N3O3S2.
What is the molecular weight of CBKinase1_007972?
The molecular weight of CBKinase1_007972 is 437.09 g/mol.
Where can I buy CBKinase1_007972?
You can request a quote for CBKinase1_007972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007972?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.