CBKinase1_004553
TL;DR: CBKinase1_004553 (CAS 690961-62-7) is a chemical compound with molecular formula C20H15N3O3S2 and molecular weight 409.06 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-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_004553, CBKinase1_016953, BRD-K78894412-001-01-8, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)ethan-1-one
| Molecular Formula | C20H15N3O3S2 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 4.204 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.05548 |
| Heavy Atoms | 28 |
| Complexity | 1154.1898 |
Chemical Identifiers
| CAS Number | 690961-62-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C4N3C(=CS4)C5=CC=CC=C5 |
Product Overview
CBKinase1_004553 (CAS 690961-62-7), with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_004553
Property Insights of CBKinase1_004553
The XLogP value of 4.204 indicates that CBKinase1_004553 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_004553. Following Lipinski's Rule of Five, CBKinase1_004553 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_004553?
The CAS number of CBKinase1_004553 is 690961-62-7.
What is the molecular formula of CBKinase1_004553?
The molecular formula of CBKinase1_004553 is C20H15N3O3S2.
What is the molecular weight of CBKinase1_004553?
The molecular weight of CBKinase1_004553 is 409.06 g/mol.
Where can I buy CBKinase1_004553?
You can request a quote for CBKinase1_004553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004553?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.