CBKinase1_004783
TL;DR: CBKinase1_004783 (CAS 54806-85-8) is a chemical compound with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: CBKinase1_004783, CBKinase1_017183, BAS 06738024, VU0180073-5, AO-081/42095838
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 1.26762 |
| Topological Polar Surface Area | 110.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1339.2616 |
Chemical Identifiers
| CAS Number | 54806-85-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
CBKinase1_004783 (CAS 54806-85-8), with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of CBKinase1_004783
Property Insights of CBKinase1_004783
The XLogP value of 1.26762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004783. The TPSA of 110.48 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004783. Following Lipinski's Rule of Five, CBKinase1_004783 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_004783?
The CAS number of CBKinase1_004783 is 54806-85-8.
What is the molecular formula of CBKinase1_004783?
The molecular formula of CBKinase1_004783 is C20H18N4O5S.
What is the molecular weight of CBKinase1_004783?
The molecular weight of CBKinase1_004783 is 426.10 g/mol.
Where can I buy CBKinase1_004783?
You can request a quote for CBKinase1_004783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004783?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.