CBKinase1_001716
TL;DR: CBKinase1_001716 (CAS 690649-05-9) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_001716, CBKinase1_014116, BRD-K40503529-001-01-0, N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-ethyl-6-methylphenyl)-2-((4-methyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 4.39214 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 947.3155 |
Chemical Identifiers
| CAS Number | 690649-05-9 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C)C |
Product Overview
CBKinase1_001716 (CAS 690649-05-9), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_001716
Property Insights of CBKinase1_001716
The XLogP value of 4.39214 indicates that CBKinase1_001716 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_001716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_001716 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_001716?
The CAS number of CBKinase1_001716 is 690649-05-9.
What is the molecular formula of CBKinase1_001716?
The molecular formula of CBKinase1_001716 is C21H24N4OS.
What is the molecular weight of CBKinase1_001716?
The molecular weight of CBKinase1_001716 is 380.17 g/mol.
Where can I buy CBKinase1_001716?
You can request a quote for CBKinase1_001716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001716?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.