RefChem:823335
TL;DR: RefChem:823335 (CAS 477331-29-6) is a chemical compound with molecular formula C24H21N5O4S and molecular weight 475.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AQ-386/41325675, N-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 650-454-4
| Molecular Formula | C24H21N5O4S |
|---|---|
| Molecular Weight | 475.13 g/mol |
| LogP | 4.1875 |
| Topological Polar Surface Area | 100.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.13144 |
| Heavy Atoms | 34 |
| Complexity | 1294.7285 |
Chemical Identifiers
| CAS Number | 477331-29-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CN=CC=C5 |
Product Overview
RefChem:823335 (CAS 477331-29-6), with molecular formula C24H21N5O4S and molecular weight 475.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:823335
Property Insights of RefChem:823335
The XLogP value of 4.1875 indicates that RefChem:823335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823335. Following Lipinski's Rule of Five, RefChem:823335 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:823335?
The CAS number of RefChem:823335 is 477331-29-6.
What is the molecular formula of RefChem:823335?
The molecular formula of RefChem:823335 is C24H21N5O4S.
What is the molecular weight of RefChem:823335?
The molecular weight of RefChem:823335 is 475.13 g/mol.
Where can I buy RefChem:823335?
You can request a quote for RefChem:823335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823335?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.