CBKinase1_008639
TL;DR: CBKinase1_008639 (CAS 445382-55-8) is a chemical compound with molecular formula C22H16Cl2N4OS and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
Also Known As: CBKinase1_008639, CBKinase1_021039, BAS 06900316, BRD-K55342077-001-01-1, 2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
| Molecular Formula | C22H16Cl2N4OS |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 5.54158 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.04218 |
| Heavy Atoms | 30 |
| Complexity | 1141.7845 |
Chemical Identifiers
| CAS Number | 445382-55-8 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)NC4=C(C=CC=C4Cl)Cl |
Product Overview
CBKinase1_008639 (CAS 445382-55-8), with molecular formula C22H16Cl2N4OS and molecular weight 454.04 g/mol. IUPAC: 2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_008639
Property Insights of CBKinase1_008639
The XLogP value of 5.54158 indicates that CBKinase1_008639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008639. Following Lipinski's Rule of Five, CBKinase1_008639 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008639?
The CAS number of CBKinase1_008639 is 445382-55-8.
What is the molecular formula of CBKinase1_008639?
The molecular formula of CBKinase1_008639 is C22H16Cl2N4OS.
What is the molecular weight of CBKinase1_008639?
The molecular weight of CBKinase1_008639 is 454.04 g/mol.
Where can I buy CBKinase1_008639?
You can request a quote for CBKinase1_008639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008639?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.