CBKinase1_002968
TL;DR: CBKinase1_002968 (CAS 496777-04-9) is a chemical compound with molecular formula C16H12Cl2N4OS and molecular weight 378.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CBKinase1_002968, CBKinase1_015368, AF-399/41767574, BRD-K14332480-001-01-3, 1-(2,4-dichlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C16H12Cl2N4OS |
|---|---|
| Molecular Weight | 378.01 g/mol |
| LogP | 4.1589 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0109 |
| Heavy Atoms | 24 |
| Complexity | 883.0389 |
Chemical Identifiers
| CAS Number | 496777-04-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CN=CC=C3 |
Product Overview
CBKinase1_002968 (CAS 496777-04-9), with molecular formula C16H12Cl2N4OS and molecular weight 378.01 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_002968
Property Insights of CBKinase1_002968
The XLogP value of 4.1589 indicates that CBKinase1_002968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002968. Following Lipinski's Rule of Five, CBKinase1_002968 has 0 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_002968?
The CAS number of CBKinase1_002968 is 496777-04-9.
What is the molecular formula of CBKinase1_002968?
The molecular formula of CBKinase1_002968 is C16H12Cl2N4OS.
What is the molecular weight of CBKinase1_002968?
The molecular weight of CBKinase1_002968 is 378.01 g/mol.
Where can I buy CBKinase1_002968?
You can request a quote for CBKinase1_002968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002968?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.