CBKinase1_008835
TL;DR: CBKinase1_008835 (CAS 712282-90-1) is a chemical compound with molecular formula C21H14ClF3N6OS and molecular weight 490.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008835, CBKinase1_021235, BRD-K84451400-001-01-3, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H14ClF3N6OS |
|---|---|
| Molecular Weight | 490.06 g/mol |
| LogP | 5.1273 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.05905 |
| Heavy Atoms | 33 |
| Complexity | 1268.2426 |
Chemical Identifiers
| CAS Number | 712282-90-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=NC=CN=C4 |
Product Overview
CBKinase1_008835 (CAS 712282-90-1), with molecular formula C21H14ClF3N6OS and molecular weight 490.06 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_008835
Property Insights of CBKinase1_008835
The XLogP value of 5.1273 indicates that CBKinase1_008835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008835. Following Lipinski's Rule of Five, CBKinase1_008835 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008835?
The CAS number of CBKinase1_008835 is 712282-90-1.
What is the molecular formula of CBKinase1_008835?
The molecular formula of CBKinase1_008835 is C21H14ClF3N6OS.
What is the molecular weight of CBKinase1_008835?
The molecular weight of CBKinase1_008835 is 490.06 g/mol.
Where can I buy CBKinase1_008835?
You can request a quote for CBKinase1_008835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008835?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.