2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- (CAS 97720-25-7) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)-1,3-benzodioxole
Also Known As: 1-(3,4-Dimethylenedioxyphenyl)-4-propylbicycloorhocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-, 1-(1,3-Benzodioxol-5-yl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane, 5-(1-propyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-1,3-benzodioxole, 5-(4-Propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)-2H-1,3-benzodioxole
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 97720-25-7 |
|---|---|
| SMILES | CCCC12COC(OC1)(OC2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | KJLZOKDCRNJUNV-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- (CAS 97720-25-7), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: 5-(4-propyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)-1,3-benzodioxole.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-. With a topological polar surface area (TPSA) of 46.2 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- has 0 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 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- is 97720-25-7.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- is C15H18O5.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- is 278.12 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(1,3-benzodioxol-5-yl)-4-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.