BAS 03434962
TL;DR: BAS 03434962 (CAS 484681-07-4) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 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-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03434962, N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-[4-ethyl-5-(phenoxymethyl)(1,2,4-triazo l-3-ylthio)]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.3365 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 993.4012 |
Chemical Identifiers
| CAS Number | 484681-07-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)COC4=CC=CC=C4 |
Product Overview
BAS 03434962 (CAS 484681-07-4), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03434962
Property Insights of BAS 03434962
The XLogP value of 3.3365 indicates that BAS 03434962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03434962. Following Lipinski's Rule of Five, BAS 03434962 has 1 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 BAS 03434962?
The CAS number of BAS 03434962 is 484681-07-4.
What is the molecular formula of BAS 03434962?
The molecular formula of BAS 03434962 is C20H20N4O4S.
What is the molecular weight of BAS 03434962?
The molecular weight of BAS 03434962 is 412.12 g/mol.
Where can I buy BAS 03434962?
You can request a quote for BAS 03434962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03434962?
Yes, KEHONG BIO provides custom synthesis services for BAS 03434962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.