CBKinase1_008805
TL;DR: CBKinase1_008805 (CAS 725224-63-5) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_008805, CBKinase1_021205, AP-853/42655498, BRD-K49605395-001-01-5, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.5613 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 641.5417 |
Chemical Identifiers
| CAS Number | 725224-63-5 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3 |
Product Overview
CBKinase1_008805 (CAS 725224-63-5), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_008805
Property Insights of CBKinase1_008805
The XLogP value of 1.5613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008805. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008805. Following Lipinski's Rule of Five, CBKinase1_008805 has 0 hydrogen bond donor(s) and 6 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_008805?
The CAS number of CBKinase1_008805 is 725224-63-5.
What is the molecular formula of CBKinase1_008805?
The molecular formula of CBKinase1_008805 is C13H13N3O3S.
What is the molecular weight of CBKinase1_008805?
The molecular weight of CBKinase1_008805 is 291.07 g/mol.
Where can I buy CBKinase1_008805?
You can request a quote for CBKinase1_008805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008805?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.