CBKinase1_004597
TL;DR: CBKinase1_004597 (CAS 694496-39-4) is a chemical compound with molecular formula C19H18Cl2N4O2S and molecular weight 436.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Also Known As: CBKinase1_004597, CBKinase1_016997, BRD-K57205802-001-01-0, 2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide, 2-{[5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
| Molecular Formula | C19H18Cl2N4O2S |
|---|---|
| Molecular Weight | 436.05 g/mol |
| LogP | 4.83672 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.05276 |
| Heavy Atoms | 28 |
| Complexity | 1023.1634 |
Chemical Identifiers
| CAS Number | 694496-39-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
CBKinase1_004597 (CAS 694496-39-4), with molecular formula C19H18Cl2N4O2S and molecular weight 436.05 g/mol. IUPAC: 2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.
Chemical Property Profile of CBKinase1_004597
Property Insights of CBKinase1_004597
The XLogP value of 4.83672 indicates that CBKinase1_004597 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_004597. Following Lipinski's Rule of Five, CBKinase1_004597 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_004597?
The CAS number of CBKinase1_004597 is 694496-39-4.
What is the molecular formula of CBKinase1_004597?
The molecular formula of CBKinase1_004597 is C19H18Cl2N4O2S.
What is the molecular weight of CBKinase1_004597?
The molecular weight of CBKinase1_004597 is 436.05 g/mol.
Where can I buy CBKinase1_004597?
You can request a quote for CBKinase1_004597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004597?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.