CBKinase1_002287
TL;DR: CBKinase1_002287 (CAS 693231-55-9) is a chemical compound with molecular formula C18H15BrCl2N4OS and molecular weight 483.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Also Known As: CBKinase1_002287, CBKinase1_014687, BRD-K58057411-001-01-7, 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide, 2-{[5-(4-bromophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
| Molecular Formula | C18H15BrCl2N4OS |
|---|---|
| Molecular Weight | 483.95 g/mol |
| LogP | 5.7651 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.9527 |
| Heavy Atoms | 27 |
| Complexity | 962.49554 |
Chemical Identifiers
| CAS Number | 693231-55-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_002287 (CAS 693231-55-9), with molecular formula C18H15BrCl2N4OS and molecular weight 483.95 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_002287
Property Insights of CBKinase1_002287
The XLogP value of 5.7651 indicates that CBKinase1_002287 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_002287 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_002287 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_002287?
The CAS number of CBKinase1_002287 is 693231-55-9.
What is the molecular formula of CBKinase1_002287?
The molecular formula of CBKinase1_002287 is C18H15BrCl2N4OS.
What is the molecular weight of CBKinase1_002287?
The molecular weight of CBKinase1_002287 is 483.95 g/mol.
Where can I buy CBKinase1_002287?
You can request a quote for CBKinase1_002287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002287?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.