CBKinase1_003536
TL;DR: CBKinase1_003536 (CAS 663167-84-8) is a chemical compound with molecular formula C17H15BrN2O4S and molecular weight 421.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: CBKinase1_003536, CBKinase1_015936, N-(4-bromo-2-methylphenyl)-3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanamide, AN-988/41872922, BRD-K77454090-001-01-1
| Molecular Formula | C17H15BrN2O4S |
|---|---|
| Molecular Weight | 421.99 g/mol |
| LogP | 2.93082 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.9936 |
| Heavy Atoms | 25 |
| Complexity | 972.36316 |
Chemical Identifiers
| CAS Number | 663167-84-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
CBKinase1_003536 (CAS 663167-84-8), with molecular formula C17H15BrN2O4S and molecular weight 421.99 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of CBKinase1_003536
Property Insights of CBKinase1_003536
The XLogP value of 2.93082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003536. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003536. Following Lipinski's Rule of Five, CBKinase1_003536 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_003536?
The CAS number of CBKinase1_003536 is 663167-84-8.
What is the molecular formula of CBKinase1_003536?
The molecular formula of CBKinase1_003536 is C17H15BrN2O4S.
What is the molecular weight of CBKinase1_003536?
The molecular weight of CBKinase1_003536 is 421.99 g/mol.
Where can I buy CBKinase1_003536?
You can request a quote for CBKinase1_003536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003536?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.