![3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene structure](/static/products/7015/70156-95-5.webp)
3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
TL;DR: 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene (CAS 70156-95-5) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)methanone
Also Known As: Acenaphtho(1,2-e)(1,2,4)triazin-9(8H)-one, 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo(2.2.2)oct-5-ene, 1,3-benzodioxol-5-yl(3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl)methanone, 1,3-benzodioxol-5-yl(3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl)
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 70156-95-5 |
|---|---|
| SMILES | C1CC2C=CC1N(O2)C(=O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | UULBXGPTOFYQML-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene (CAS 70156-95-5), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: 1,3-benzodioxol-5-yl(2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl)methanone.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
Property Insights of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene. With a topological polar surface area (TPSA) of 48.0 Ų, 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene has 0 hydrogen bond donor(s) and 4 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 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene?
The CAS number of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene is 70156-95-5.
What is the molecular formula of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene?
The molecular formula of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene is C14H13NO4.
What is the molecular weight of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene?
The molecular weight of 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene is 259.08 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene?
You can request a quote for 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-ylcarbonyl)-2-oxa-3-azabicyclo[2.2.2]oct-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.