RefChem:825844
TL;DR: RefChem:825844 (CAS 585559-44-0) is a chemical compound with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,4-Dimethoxyphenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-DIMETHOXYPHENYL)-2-{[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(3,4-dimethoxyphenyl)-2-{[4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-dimethoxyphenyl)-2-(4-ethyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))acet amide, N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C18H20N6O3S |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 2.503 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.13177 |
| Heavy Atoms | 28 |
| Complexity | 947.7489 |
Chemical Identifiers
| CAS Number | 585559-44-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=NC=CN=C3 |
Product Overview
RefChem:825844 (CAS 585559-44-0), with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825844
Property Insights of RefChem:825844
The XLogP value of 2.503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:825844. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825844. Following Lipinski's Rule of Five, RefChem:825844 has 1 hydrogen bond donor(s) and 8 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:825844?
The CAS number of RefChem:825844 is 585559-44-0.
What is the molecular formula of RefChem:825844?
The molecular formula of RefChem:825844 is C18H20N6O3S.
What is the molecular weight of RefChem:825844?
The molecular weight of RefChem:825844 is 400.13 g/mol.
Where can I buy RefChem:825844?
You can request a quote for RefChem:825844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825844?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.