CBKinase1_004751
TL;DR: CBKinase1_004751 (CAS 694488-90-9) is a chemical compound with molecular formula C18H13BrN2O4S and molecular weight 431.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Also Known As: CBKinase1_004751, CBKinase1_017151, AP-853/42160117, BRD-K74208592-001-01-7, 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
| Molecular Formula | C18H13BrN2O4S |
|---|---|
| Molecular Weight | 431.98 g/mol |
| LogP | 4.2453 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.97794 |
| Heavy Atoms | 26 |
| Complexity | 959.8691 |
Chemical Identifiers
| CAS Number | 694488-90-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4Br |
Product Overview
CBKinase1_004751 (CAS 694488-90-9), with molecular formula C18H13BrN2O4S and molecular weight 431.98 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
Chemical Property Profile of CBKinase1_004751
Property Insights of CBKinase1_004751
The XLogP value of 4.2453 indicates that CBKinase1_004751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004751. Following Lipinski's Rule of Five, CBKinase1_004751 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_004751?
The CAS number of CBKinase1_004751 is 694488-90-9.
What is the molecular formula of CBKinase1_004751?
The molecular formula of CBKinase1_004751 is C18H13BrN2O4S.
What is the molecular weight of CBKinase1_004751?
The molecular weight of CBKinase1_004751 is 431.98 g/mol.
Where can I buy CBKinase1_004751?
You can request a quote for CBKinase1_004751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004751?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.