CBKinase1_008616
TL;DR: CBKinase1_008616 (CAS 626228-70-4) is a chemical compound with molecular formula C23H25F3N4OS and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
Also Known As: CBKinase1_008616, CBKinase1_021016, AM-807/41626048, BRD-K92742384-001-01-5, 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
| Molecular Formula | C23H25F3N4OS |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 5.42788 |
| Topological Polar Surface Area | 69.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1701 |
| Heavy Atoms | 32 |
| Complexity | 1013.8723 |
Chemical Identifiers
| CAS Number | 626228-70-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CCCCCC3)C(=C2C#N)C(F)(F)F |
Product Overview
CBKinase1_008616 (CAS 626228-70-4), with molecular formula C23H25F3N4OS and molecular weight 462.17 g/mol. IUPAC: 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide.
Chemical Property Profile of CBKinase1_008616
Property Insights of CBKinase1_008616
The XLogP value of 5.42788 indicates that CBKinase1_008616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.02 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008616. Following Lipinski's Rule of Five, CBKinase1_008616 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_008616?
The CAS number of CBKinase1_008616 is 626228-70-4.
What is the molecular formula of CBKinase1_008616?
The molecular formula of CBKinase1_008616 is C23H25F3N4OS.
What is the molecular weight of CBKinase1_008616?
The molecular weight of CBKinase1_008616 is 462.17 g/mol.
Where can I buy CBKinase1_008616?
You can request a quote for CBKinase1_008616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008616?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.