CBKinase1_004284
TL;DR: CBKinase1_004284 (CAS 562846-82-6) is a chemical compound with molecular formula C18H15Cl3N4OS and molecular weight 440.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
Also Known As: CBKinase1_004284, CBKinase1_016684, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide, BRD-K17987784-001-01-4, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
| Molecular Formula | C18H15Cl3N4OS |
|---|---|
| Molecular Weight | 440.00 g/mol |
| LogP | 5.656 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.0032 |
| Heavy Atoms | 27 |
| Complexity | 959.74066 |
Chemical Identifiers
| CAS Number | 562846-82-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)Cl)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_004284 (CAS 562846-82-6), with molecular formula C18H15Cl3N4OS and molecular weight 440.00 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_004284
Property Insights of CBKinase1_004284
The XLogP value of 5.656 indicates that CBKinase1_004284 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_004284 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004284 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_004284?
The CAS number of CBKinase1_004284 is 562846-82-6.
What is the molecular formula of CBKinase1_004284?
The molecular formula of CBKinase1_004284 is C18H15Cl3N4OS.
What is the molecular weight of CBKinase1_004284?
The molecular weight of CBKinase1_004284 is 440.00 g/mol.
Where can I buy CBKinase1_004284?
You can request a quote for CBKinase1_004284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004284?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.