CBKinase1_003330
TL;DR: CBKinase1_003330 (CAS 332934-48-2) is a chemical compound with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: CBKinase1_003330, CBKinase1_015730, BAS 01916012, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide, BRD-K74452339-001-01-9
| Molecular Formula | C20H21ClN4OS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.96604 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.11246 |
| Heavy Atoms | 27 |
| Complexity | 953.1156 |
Chemical Identifiers
| CAS Number | 332934-48-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_003330 (CAS 332934-48-2), with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of CBKinase1_003330
Property Insights of CBKinase1_003330
The XLogP value of 4.96604 indicates that CBKinase1_003330 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_003330 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_003330 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_003330?
The CAS number of CBKinase1_003330 is 332934-48-2.
What is the molecular formula of CBKinase1_003330?
The molecular formula of CBKinase1_003330 is C20H21ClN4OS.
What is the molecular weight of CBKinase1_003330?
The molecular weight of CBKinase1_003330 is 400.11 g/mol.
Where can I buy CBKinase1_003330?
You can request a quote for CBKinase1_003330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003330?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.