CBKinase1_004051
TL;DR: CBKinase1_004051 (CAS 332376-20-2) is a chemical compound with molecular formula C23H21N5OS and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_004051, CBKinase1_016451, BAS 01516505, N-(3,5-Dimethylphenyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, BRD-K68212095-001-01-9
| Molecular Formula | C23H21N5OS |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.67694 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.14667 |
| Heavy Atoms | 30 |
| Complexity | 1138.6992 |
Chemical Identifiers
| CAS Number | 332376-20-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)C |
Product Overview
CBKinase1_004051 (CAS 332376-20-2), with molecular formula C23H21N5OS and molecular weight 415.15 g/mol. IUPAC: N-(3,5-dimethylphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004051
Property Insights of CBKinase1_004051
The XLogP value of 4.67694 indicates that CBKinase1_004051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004051. Following Lipinski's Rule of Five, CBKinase1_004051 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_004051?
The CAS number of CBKinase1_004051 is 332376-20-2.
What is the molecular formula of CBKinase1_004051?
The molecular formula of CBKinase1_004051 is C23H21N5OS.
What is the molecular weight of CBKinase1_004051?
The molecular weight of CBKinase1_004051 is 415.15 g/mol.
Where can I buy CBKinase1_004051?
You can request a quote for CBKinase1_004051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004051?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.