CBKinase1_003002
TL;DR: CBKinase1_003002 (CAS 565188-57-0) is a chemical compound with molecular formula C18H16Cl2N4OS and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dichlorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_003002, CBKinase1_015402, BRD-K33735281-001-01-5, N-(2,4-dichlorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,4-dichlorophenyl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H16Cl2N4OS |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 5.0026 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.04218 |
| Heavy Atoms | 26 |
| Complexity | 914.8095 |
Chemical Identifiers
| CAS Number | 565188-57-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3 |
Product Overview
CBKinase1_003002 (CAS 565188-57-0), with molecular formula C18H16Cl2N4OS and molecular weight 406.04 g/mol. IUPAC: N-(2,4-dichlorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003002
Property Insights of CBKinase1_003002
The XLogP value of 5.0026 indicates that CBKinase1_003002 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_003002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003002 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_003002?
The CAS number of CBKinase1_003002 is 565188-57-0.
What is the molecular formula of CBKinase1_003002?
The molecular formula of CBKinase1_003002 is C18H16Cl2N4OS.
What is the molecular weight of CBKinase1_003002?
The molecular weight of CBKinase1_003002 is 406.04 g/mol.
Where can I buy CBKinase1_003002?
You can request a quote for CBKinase1_003002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003002?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.