CBKinase1_004692
TL;DR: CBKinase1_004692 (CAS 452285-74-4) is a chemical compound with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(oxolan-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: CBKinase1_004692, CBKinase1_017092, BAS 06740168, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide, BRD-A46673392-001-01-1
| Molecular Formula | C14H16N2O5S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 0.1263 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.078 |
| Heavy Atoms | 22 |
| Complexity | 709.6983 |
Chemical Identifiers
| CAS Number | 452285-74-4 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
CBKinase1_004692 (CAS 452285-74-4), with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol. IUPAC: N-(oxolan-2-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of CBKinase1_004692
Property Insights of CBKinase1_004692
The XLogP value of 0.1263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004692. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004692. Following Lipinski's Rule of Five, CBKinase1_004692 has 1 hydrogen bond donor(s) and 5 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_004692?
The CAS number of CBKinase1_004692 is 452285-74-4.
What is the molecular formula of CBKinase1_004692?
The molecular formula of CBKinase1_004692 is C14H16N2O5S.
What is the molecular weight of CBKinase1_004692?
The molecular weight of CBKinase1_004692 is 324.08 g/mol.
Where can I buy CBKinase1_004692?
You can request a quote for CBKinase1_004692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004692?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.