RefChem:827981
TL;DR: RefChem:827981 (CAS 477318-63-1) is a chemical compound with molecular formula C25H24N6O3S and molecular weight 488.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(5-Acetamido-2-methoxyphenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 647-996-9, N-(5-(Acetylamino)-2-methoxyphenyl)-2-((4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
| Molecular Formula | C25H24N6O3S |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 4.33552 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.16306 |
| Heavy Atoms | 35 |
| Complexity | 1339.3317 |
Chemical Identifiers
| CAS Number | 477318-63-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC)C4=CC=NC=C4 |
Product Overview
RefChem:827981 (CAS 477318-63-1), with molecular formula C25H24N6O3S and molecular weight 488.16 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:827981
Property Insights of RefChem:827981
The XLogP value of 4.33552 indicates that RefChem:827981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827981. Following Lipinski's Rule of Five, RefChem:827981 has 2 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:827981?
The CAS number of RefChem:827981 is 477318-63-1.
What is the molecular formula of RefChem:827981?
The molecular formula of RefChem:827981 is C25H24N6O3S.
What is the molecular weight of RefChem:827981?
The molecular weight of RefChem:827981 is 488.16 g/mol.
Where can I buy RefChem:827981?
You can request a quote for RefChem:827981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827981?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.