RefChem:827046
TL;DR: RefChem:827046 (CAS 577786-91-5) is a chemical compound with molecular formula C19H22N6OS and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(dimethylamino)phenyl]-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-[4-(dimethylamino)phenyl]-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-(Dimethylamino)phenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-(DIMETHYLAMINO)PHENYL]-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-[4-(dimethylamino)phenyl]-2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))a cetamide, 649-343-3
| Molecular Formula | C19H22N6OS |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 3.1568 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1576 |
| Heavy Atoms | 27 |
| Complexity | 892.3232 |
Chemical Identifiers
| CAS Number | 577786-91-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)C3=CN=CC=C3 |
Product Overview
RefChem:827046 (CAS 577786-91-5), with molecular formula C19H22N6OS and molecular weight 382.16 g/mol. IUPAC: N-[4-(dimethylamino)phenyl]-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:827046
Property Insights of RefChem:827046
The XLogP value of 3.1568 indicates that RefChem:827046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827046. Following Lipinski's Rule of Five, RefChem:827046 has 1 hydrogen bond donor(s) and 6 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:827046?
The CAS number of RefChem:827046 is 577786-91-5.
What is the molecular formula of RefChem:827046?
The molecular formula of RefChem:827046 is C19H22N6OS.
What is the molecular weight of RefChem:827046?
The molecular weight of RefChem:827046 is 382.16 g/mol.
Where can I buy RefChem:827046?
You can request a quote for RefChem:827046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827046?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.