CBKinase1_005022
TL;DR: CBKinase1_005022 (CAS 579439-95-5) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Also Known As: CBKinase1_005022, CBKinase1_017422, BAS 06911227, BRD-A40556173-001-01-9, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.8994 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 839.5758 |
Chemical Identifiers
| CAS Number | 579439-95-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3 |
Product Overview
CBKinase1_005022 (CAS 579439-95-5), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
Chemical Property Profile of CBKinase1_005022
Property Insights of CBKinase1_005022
The XLogP value of 2.8994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005022. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005022. Following Lipinski's Rule of Five, CBKinase1_005022 has 2 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_005022?
The CAS number of CBKinase1_005022 is 579439-95-5.
What is the molecular formula of CBKinase1_005022?
The molecular formula of CBKinase1_005022 is C18H16N2O4S.
What is the molecular weight of CBKinase1_005022?
The molecular weight of CBKinase1_005022 is 356.08 g/mol.
Where can I buy CBKinase1_005022?
You can request a quote for CBKinase1_005022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005022?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.