CBKinase1_004471
TL;DR: CBKinase1_004471 (CAS 713097-15-5) is a chemical compound with molecular formula C20H21ClN4O2S and molecular weight 416.11 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-(2-methoxy-5-methylphenyl)acetamide
Also Known As: CBKinase1_004471, CBKinase1_016871, BRD-K52188657-001-01-9, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
| Molecular Formula | C20H21ClN4O2S |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.66622 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.10736 |
| Heavy Atoms | 28 |
| Complexity | 972.8371 |
Chemical Identifiers
| CAS Number | 713097-15-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_004471 (CAS 713097-15-5), with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004471
Property Insights of CBKinase1_004471
The XLogP value of 4.66622 indicates that CBKinase1_004471 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_004471. Following Lipinski's Rule of Five, CBKinase1_004471 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_004471?
The CAS number of CBKinase1_004471 is 713097-15-5.
What is the molecular formula of CBKinase1_004471?
The molecular formula of CBKinase1_004471 is C20H21ClN4O2S.
What is the molecular weight of CBKinase1_004471?
The molecular weight of CBKinase1_004471 is 416.11 g/mol.
Where can I buy CBKinase1_004471?
You can request a quote for CBKinase1_004471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004471?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.