BAS 03434961
TL;DR: BAS 03434961 (CAS 484681-06-3) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03434961, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(4-ethyl-5-phenoxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 484681-06-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)COC4=CC=CC=C4 |
| InChIKey | OIBGMNSIWIULCN-UHFFFAOYSA-N |
Product Overview
BAS 03434961 (CAS 484681-06-3), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03434961
Property Insights of BAS 03434961
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03434961. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03434961. Following Lipinski's Rule of Five, BAS 03434961 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 03434961?
The CAS number of BAS 03434961 is 484681-06-3.
What is the molecular formula of BAS 03434961?
The molecular formula of BAS 03434961 is C21H22N4O4S.
What is the molecular weight of BAS 03434961?
The molecular weight of BAS 03434961 is 426.14 g/mol.
Where can I buy BAS 03434961?
You can request a quote for BAS 03434961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03434961?
Yes, KEHONG BIO provides custom synthesis services for BAS 03434961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.