CBKinase1_004339
TL;DR: CBKinase1_004339 (CAS 517869-08-8) is a chemical compound with molecular formula C20H26N4O2S2 and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Also Known As: CBKinase1_004339, CBKinase1_016739, 1-(2-(BENZO[D]THIAZOL-2-YLTHIO)ACETYL)-4-(PIPERIDIN-1-YL)PIPERIDINE-4-CARBOXAMIDE, 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ylpiperidine-4-carboxamide, BRD-K70291103-001-01-9
| Molecular Formula | C20H26N4O2S2 |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 2.7208 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.14972 |
| Heavy Atoms | 28 |
| Complexity | 821.76263 |
Chemical Identifiers
| CAS Number | 517869-08-8 |
|---|---|
| SMILES | C1CCN(CC1)C2(CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)C(=O)N |
Product Overview
CBKinase1_004339 (CAS 517869-08-8), with molecular formula C20H26N4O2S2 and molecular weight 418.15 g/mol. IUPAC: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
Chemical Property Profile of CBKinase1_004339
Property Insights of CBKinase1_004339
The XLogP value of 2.7208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_004339. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004339. Following Lipinski's Rule of Five, CBKinase1_004339 has 1 hydrogen bond donor(s) and 6 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_004339?
The CAS number of CBKinase1_004339 is 517869-08-8.
What is the molecular formula of CBKinase1_004339?
The molecular formula of CBKinase1_004339 is C20H26N4O2S2.
What is the molecular weight of CBKinase1_004339?
The molecular weight of CBKinase1_004339 is 418.15 g/mol.
Where can I buy CBKinase1_004339?
You can request a quote for CBKinase1_004339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004339?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.