CBKinase1_009237
TL;DR: CBKinase1_009237 (CAS 710985-57-2) is a chemical compound with molecular formula C22H24ClFN4OS and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
Also Known As: CBKinase1_009237, CBKinase1_021637, BRD-K14252967-001-01-5, 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide, 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
| Molecular Formula | C22H24ClFN4OS |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 5.7858 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.13434 |
| Heavy Atoms | 30 |
| Complexity | 1044.2814 |
Chemical Identifiers
| CAS Number | 710985-57-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
CBKinase1_009237 (CAS 710985-57-2), with molecular formula C22H24ClFN4OS and molecular weight 446.13 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide.
Chemical Property Profile of CBKinase1_009237
Property Insights of CBKinase1_009237
The XLogP value of 5.7858 indicates that CBKinase1_009237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_009237 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_009237 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_009237?
The CAS number of CBKinase1_009237 is 710985-57-2.
What is the molecular formula of CBKinase1_009237?
The molecular formula of CBKinase1_009237 is C22H24ClFN4OS.
What is the molecular weight of CBKinase1_009237?
The molecular weight of CBKinase1_009237 is 446.13 g/mol.
Where can I buy CBKinase1_009237?
You can request a quote for CBKinase1_009237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009237?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.