CBKinase1_003544
TL;DR: CBKinase1_003544 (CAS 454237-08-2) is a chemical compound with molecular formula C15H10BrFN2O4S and molecular weight 411.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: CBKinase1_003544, CBKinase1_015944, N-(4-bromo-2-fluorophenyl)-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide, AP-853/41807398, BRD-K09353824-001-01-1
| Molecular Formula | C15H10BrFN2O4S |
|---|---|
| Molecular Weight | 411.95 g/mol |
| LogP | 2.3714 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.95288 |
| Heavy Atoms | 24 |
| Complexity | 961.6965 |
Chemical Identifiers
| CAS Number | 454237-08-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=C(C=C(C=C3)Br)F |
Product Overview
CBKinase1_003544 (CAS 454237-08-2), with molecular formula C15H10BrFN2O4S and molecular weight 411.95 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of CBKinase1_003544
Property Insights of CBKinase1_003544
The XLogP value of 2.3714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003544. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003544. Following Lipinski's Rule of Five, CBKinase1_003544 has 1 hydrogen bond donor(s) and 4 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_003544?
The CAS number of CBKinase1_003544 is 454237-08-2.
What is the molecular formula of CBKinase1_003544?
The molecular formula of CBKinase1_003544 is C15H10BrFN2O4S.
What is the molecular weight of CBKinase1_003544?
The molecular weight of CBKinase1_003544 is 411.95 g/mol.
Where can I buy CBKinase1_003544?
You can request a quote for CBKinase1_003544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003544?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.