BAS 13322287
TL;DR: BAS 13322287 (CAS 887597-86-6) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 13322287, Benzo[1,3]dioxole-5-carboxylic acid [3-(3,4-dimethoxy-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-ethyl-amide, N-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-N-ethylbenzo[d][1,3]dioxole-5-carboxamide, N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1,3-benzodioxole-5-carboxamide, N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-ethyl-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.1448 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 1064.6453 |
Chemical Identifiers
| CAS Number | 887597-86-6 |
|---|---|
| SMILES | CCN(CC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 13322287 (CAS 887597-86-6), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of BAS 13322287
Property Insights of BAS 13322287
The XLogP value of 3.1448 indicates that BAS 13322287 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13322287. Following Lipinski's Rule of Five, BAS 13322287 has 0 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 BAS 13322287?
The CAS number of BAS 13322287 is 887597-86-6.
What is the molecular formula of BAS 13322287?
The molecular formula of BAS 13322287 is C21H21N3O6.
What is the molecular weight of BAS 13322287?
The molecular weight of BAS 13322287 is 411.14 g/mol.
Where can I buy BAS 13322287?
You can request a quote for BAS 13322287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13322287?
Yes, KEHONG BIO provides custom synthesis services for BAS 13322287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.