RefChem:825943
TL;DR: RefChem:825943 (CAS 585556-89-4) 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-(3,5-dimethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,5-Dimethoxyphenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,5-DIMETHOXYPHENYL)-2-{[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(3,5-dimethoxyphenyl)-2-(4-ethyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))acet amide, N-(3,5-dimethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 643-676-8
| 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 | 925.4989 |
Chemical Identifiers
| CAS Number | 585556-89-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)OC)OC)C3=NC=CN=C3 |
Product Overview
RefChem:825943 (CAS 585556-89-4), with molecular formula C18H20N6O3S and molecular weight 400.13 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825943
Property Insights of RefChem:825943
The XLogP value of 2.503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:825943. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:825943. Following Lipinski's Rule of Five, RefChem:825943 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:825943?
The CAS number of RefChem:825943 is 585556-89-4.
What is the molecular formula of RefChem:825943?
The molecular formula of RefChem:825943 is C18H20N6O3S.
What is the molecular weight of RefChem:825943?
The molecular weight of RefChem:825943 is 400.13 g/mol.
Where can I buy RefChem:825943?
You can request a quote for RefChem:825943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825943?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.