CBKinase1_004868
TL;DR: CBKinase1_004868 (CAS 694517-95-8) is a chemical compound with molecular formula C16H12N2O5S and molecular weight 344.05 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-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: CBKinase1_004868, CBKinase1_017268, AP-853/42160010, BRD-K53326736-001-01-9, A3494/0148155
| Molecular Formula | C16H12N2O5S |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.0758 |
| Topological Polar Surface Area | 87.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.0467 |
| Heavy Atoms | 24 |
| Complexity | 859.24225 |
Chemical Identifiers
| CAS Number | 694517-95-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CC=CO4 |
Product Overview
CBKinase1_004868 (CAS 694517-95-8), with molecular formula C16H12N2O5S and molecular weight 344.05 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_004868
Property Insights of CBKinase1_004868
The XLogP value of 3.0758 indicates that CBKinase1_004868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004868. Following Lipinski's Rule of Five, CBKinase1_004868 has 0 hydrogen bond donor(s) and 8 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_004868?
The CAS number of CBKinase1_004868 is 694517-95-8.
What is the molecular formula of CBKinase1_004868?
The molecular formula of CBKinase1_004868 is C16H12N2O5S.
What is the molecular weight of CBKinase1_004868?
The molecular weight of CBKinase1_004868 is 344.05 g/mol.
Where can I buy CBKinase1_004868?
You can request a quote for CBKinase1_004868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004868?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.