CBKinase1_005730
TL;DR: CBKinase1_005730 (CAS 701221-48-9) is a chemical compound with molecular formula C19H18ClFN4OS and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_005730, CBKinase1_018130, BRD-K16372361-001-01-1, N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H18ClFN4OS |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 4.79672 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.0874 |
| Heavy Atoms | 27 |
| Complexity | 976.09357 |
Chemical Identifiers
| CAS Number | 701221-48-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=CC(=C3)C |
Product Overview
CBKinase1_005730 (CAS 701221-48-9), with molecular formula C19H18ClFN4OS and molecular weight 404.09 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005730
Property Insights of CBKinase1_005730
The XLogP value of 4.79672 indicates that CBKinase1_005730 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_005730 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005730 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_005730?
The CAS number of CBKinase1_005730 is 701221-48-9.
What is the molecular formula of CBKinase1_005730?
The molecular formula of CBKinase1_005730 is C19H18ClFN4OS.
What is the molecular weight of CBKinase1_005730?
The molecular weight of CBKinase1_005730 is 404.09 g/mol.
Where can I buy CBKinase1_005730?
You can request a quote for CBKinase1_005730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005730?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.