CBKinase1_005397
TL;DR: CBKinase1_005397 (CAS 577962-36-8) is a chemical compound with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: CBKinase1_005397, CBKinase1_017797, BAS 06741209, BRD-K66639594-001-01-1, N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 1.7058 |
| Topological Polar Surface Area | 103.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 1106.6047 |
Chemical Identifiers
| CAS Number | 577962-36-8 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
CBKinase1_005397 (CAS 577962-36-8), with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol. IUPAC: N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of CBKinase1_005397
Property Insights of CBKinase1_005397
The XLogP value of 1.7058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005397. The TPSA of 103.86 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005397. Following Lipinski's Rule of Five, CBKinase1_005397 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_005397?
The CAS number of CBKinase1_005397 is 577962-36-8.
What is the molecular formula of CBKinase1_005397?
The molecular formula of CBKinase1_005397 is C20H19N3O5S.
What is the molecular weight of CBKinase1_005397?
The molecular weight of CBKinase1_005397 is 413.10 g/mol.
Where can I buy CBKinase1_005397?
You can request a quote for CBKinase1_005397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005397?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.