CBKinase1_008458
TL;DR: CBKinase1_008458 (CAS 626227-45-0) is a chemical compound with molecular formula C20H16ClF4N3OS and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-fluorophenyl)-2-[[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl]acetamide
Also Known As: CBKinase1_008458, CBKinase1_020858, AM-807/41626718, BRD-K35834487-001-01-6, N-(2-chloro-4-fluorophenyl)-2-[[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl]acetamide
| Molecular Formula | C20H16ClF4N3OS |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 5.76428 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.06387 |
| Heavy Atoms | 30 |
| Complexity | 1020.577 |
Chemical Identifiers
| CAS Number | 626227-45-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C(F)(F)F)C#N)SCC(=O)NC3=C(C=C(C=C3)F)Cl |
Product Overview
CBKinase1_008458 (CAS 626227-45-0), with molecular formula C20H16ClF4N3OS and molecular weight 457.06 g/mol. IUPAC: N-(2-chloro-4-fluorophenyl)-2-[[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008458
Property Insights of CBKinase1_008458
The XLogP value of 5.76428 indicates that CBKinase1_008458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008458. Following Lipinski's Rule of Five, CBKinase1_008458 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008458?
The CAS number of CBKinase1_008458 is 626227-45-0.
What is the molecular formula of CBKinase1_008458?
The molecular formula of CBKinase1_008458 is C20H16ClF4N3OS.
What is the molecular weight of CBKinase1_008458?
The molecular weight of CBKinase1_008458 is 457.06 g/mol.
Where can I buy CBKinase1_008458?
You can request a quote for CBKinase1_008458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008458?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.