CBKinase1_001754
TL;DR: CBKinase1_001754 (CAS 690646-71-0) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-[[5-(3-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_001754, CBKinase1_014154, AO-080/41039843, BRD-K33577749-001-01-7, N-(2,6-dimethylphenyl)-2-[[5-(3-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.22844 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 964.037 |
Chemical Identifiers
| CAS Number | 690646-71-0 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC=C3C)C |
Product Overview
CBKinase1_001754 (CAS 690646-71-0), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[[5-(3-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_001754
Property Insights of CBKinase1_001754
The XLogP value of 4.22844 indicates that CBKinase1_001754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001754. Following Lipinski's Rule of Five, CBKinase1_001754 has 1 hydrogen bond donor(s) and 5 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_001754?
The CAS number of CBKinase1_001754 is 690646-71-0.
What is the molecular formula of CBKinase1_001754?
The molecular formula of CBKinase1_001754 is C21H24N4O2S.
What is the molecular weight of CBKinase1_001754?
The molecular weight of CBKinase1_001754 is 396.16 g/mol.
Where can I buy CBKinase1_001754?
You can request a quote for CBKinase1_001754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001754?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.