RefChem:827349
TL;DR: RefChem:827349 (CAS 573945-54-7) is a chemical compound with molecular formula C18H19ClN6O2S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_008951, CBKinase1_021351, N-(4-Chloro-2-methoxy-5-methylphenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, BRD-K62697932-001-01-4, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H19ClN6O2S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.45622 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.09787 |
| Heavy Atoms | 28 |
| Complexity | 979.7072 |
Chemical Identifiers
| CAS Number | 573945-54-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C3=NC=CN=C3 |
Product Overview
RefChem:827349 (CAS 573945-54-7), with molecular formula C18H19ClN6O2S and molecular weight 418.10 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:827349
Property Insights of RefChem:827349
The XLogP value of 3.45622 indicates that RefChem:827349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827349. Following Lipinski's Rule of Five, RefChem:827349 has 1 hydrogen bond donor(s) and 7 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 RefChem:827349?
The CAS number of RefChem:827349 is 573945-54-7.
What is the molecular formula of RefChem:827349?
The molecular formula of RefChem:827349 is C18H19ClN6O2S.
What is the molecular weight of RefChem:827349?
The molecular weight of RefChem:827349 is 418.10 g/mol.
Where can I buy RefChem:827349?
You can request a quote for RefChem:827349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827349?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.