N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide
TL;DR: N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide (CAS 1008454-37-2) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 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-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetamide
Also Known As: N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide, N-(1,3-benzodioxol-5-yl)-2-(3-oxodecahydroquinoxalin-2-yl)acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-(3-oxodecahydroquinoxalin-2-yl)acetamide, N~1~-(1,3-BENZODIOXOL-5-YL)-2-(3-OXODECAHYDRO-2-QUINOXALINYL)ACETAMIDE, N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetamide
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 1.1431 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 663.2358 |
Chemical Identifiers
| CAS Number | 1008454-37-2 |
|---|---|
| SMILES | C1CCC2C(C1)NC(C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCO4 |
Product Overview
N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide (CAS 1008454-37-2), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetamide.
Chemical Property Profile of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide
Property Insights of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide
The XLogP value of 1.1431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide. Following Lipinski's Rule of Five, N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide has 3 hydrogen bond donor(s) and 5 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 N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide?
The CAS number of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide is 1008454-37-2.
What is the molecular formula of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide?
The molecular formula of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide is C17H21N3O4.
What is the molecular weight of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide?
The molecular weight of N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide is 331.15 g/mol.
Where can I buy N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide?
You can request a quote for N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzodioxol-5-yl-2-(3-oxodecahydro-2-quinoxalinyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.