CBKinase1_004552
TL;DR: CBKinase1_004552 (CAS 694506-52-0) is a chemical compound with molecular formula C22H18Cl2N4OS and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: CBKinase1_004552, CBKinase1_016952, BRD-K89994343-001-01-7, 2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide, 2-{[5-(3,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
| Molecular Formula | C22H18Cl2N4OS |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 6.1558 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.05783 |
| Heavy Atoms | 30 |
| Complexity | 1219.7197 |
Chemical Identifiers
| CAS Number | 694506-52-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
CBKinase1_004552 (CAS 694506-52-0), with molecular formula C22H18Cl2N4OS and molecular weight 456.06 g/mol. IUPAC: 2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of CBKinase1_004552
Property Insights of CBKinase1_004552
The XLogP value of 6.1558 indicates that CBKinase1_004552 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_004552 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004552 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_004552?
The CAS number of CBKinase1_004552 is 694506-52-0.
What is the molecular formula of CBKinase1_004552?
The molecular formula of CBKinase1_004552 is C22H18Cl2N4OS.
What is the molecular weight of CBKinase1_004552?
The molecular weight of CBKinase1_004552 is 456.06 g/mol.
Where can I buy CBKinase1_004552?
You can request a quote for CBKinase1_004552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004552?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.