CBKinase1_004281
TL;DR: CBKinase1_004281 (CAS 694466-14-3) is a chemical compound with molecular formula C22H26N4OS and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: CBKinase1_004281, CBKinase1_016681, BRD-K72701167-001-01-8, 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 2-{[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 4.92948 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 986.5165 |
Chemical Identifiers
| CAS Number | 694466-14-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C3=CC=CC=C3C |
Product Overview
CBKinase1_004281 (CAS 694466-14-3), with molecular formula C22H26N4OS and molecular weight 394.18 g/mol. IUPAC: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004281
Property Insights of CBKinase1_004281
The XLogP value of 4.92948 indicates that CBKinase1_004281 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_004281 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004281 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004281?
The CAS number of CBKinase1_004281 is 694466-14-3.
What is the molecular formula of CBKinase1_004281?
The molecular formula of CBKinase1_004281 is C22H26N4OS.
What is the molecular weight of CBKinase1_004281?
The molecular weight of CBKinase1_004281 is 394.18 g/mol.
Where can I buy CBKinase1_004281?
You can request a quote for CBKinase1_004281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004281?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.