RefChem:826963
TL;DR: RefChem:826963 (CAS 477329-08-1) 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-(4-acetamidophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(acetylamino)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-Acetamidophenyl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-(acetylamino)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 647-164-5, N-(4-(Acetylamino)phenyl)-2-((4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
| Molecular Formula | C25H24N6O3S |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 4.4172 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.16306 |
| Heavy Atoms | 35 |
| Complexity | 1291.299 |
Chemical Identifiers
| CAS Number | 477329-08-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CN=CC=C4 |
Product Overview
RefChem:826963 (CAS 477329-08-1), with molecular formula C25H24N6O3S and molecular weight 488.16 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:826963
Property Insights of RefChem:826963
The XLogP value of 4.4172 indicates that RefChem:826963 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:826963. Following Lipinski's Rule of Five, RefChem:826963 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:826963?
The CAS number of RefChem:826963 is 477329-08-1.
What is the molecular formula of RefChem:826963?
The molecular formula of RefChem:826963 is C25H24N6O3S.
What is the molecular weight of RefChem:826963?
The molecular weight of RefChem:826963 is 488.16 g/mol.
Where can I buy RefChem:826963?
You can request a quote for RefChem:826963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826963?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.