CBKinase1_004419
TL;DR: CBKinase1_004419 (CAS 713099-31-1) is a chemical compound with molecular formula C21H23BrN4OS and molecular weight 458.08 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-(2,4,6-trimethylphenyl)acetamide
Also Known As: CBKinase1_004419, CBKinase1_016819, AN-698/42116599, BRD-K31747642-001-01-6, 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C21H23BrN4OS |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 5.38356 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.0776 |
| Heavy Atoms | 28 |
| Complexity | 975.1353 |
Chemical Identifiers
| CAS Number | 713099-31-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C3=CC=C(C=C3)Br |
Product Overview
CBKinase1_004419 (CAS 713099-31-1), with molecular formula C21H23BrN4OS and molecular weight 458.08 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004419
Property Insights of CBKinase1_004419
The XLogP value of 5.38356 indicates that CBKinase1_004419 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_004419 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004419 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_004419?
The CAS number of CBKinase1_004419 is 713099-31-1.
What is the molecular formula of CBKinase1_004419?
The molecular formula of CBKinase1_004419 is C21H23BrN4OS.
What is the molecular weight of CBKinase1_004419?
The molecular weight of CBKinase1_004419 is 458.08 g/mol.
Where can I buy CBKinase1_004419?
You can request a quote for CBKinase1_004419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004419?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.