CBKinase1_004595
TL;DR: CBKinase1_004595 (CAS 538336-85-5) is a chemical compound with molecular formula C17H13N3O4S and molecular weight 355.06 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-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
Also Known As: CBKinase1_004595, CBKinase1_016995, F1252-1082, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone, AP-853/42160985
| Molecular Formula | C17H13N3O4S |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 2.8778 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.06268 |
| Heavy Atoms | 25 |
| Complexity | 897.91846 |
Chemical Identifiers
| CAS Number | 538336-85-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CN=CC=C4 |
Product Overview
CBKinase1_004595 (CAS 538336-85-5), with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_004595
Property Insights of CBKinase1_004595
The XLogP value of 2.8778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004595. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004595. Following Lipinski's Rule of Five, CBKinase1_004595 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_004595?
The CAS number of CBKinase1_004595 is 538336-85-5.
What is the molecular formula of CBKinase1_004595?
The molecular formula of CBKinase1_004595 is C17H13N3O4S.
What is the molecular weight of CBKinase1_004595?
The molecular weight of CBKinase1_004595 is 355.06 g/mol.
Where can I buy CBKinase1_004595?
You can request a quote for CBKinase1_004595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004595?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.