2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- (CAS 70636-98-5) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-, Orthovaleric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 4-butyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 1-Butyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane, 2,6,7-Trioxabicyclo[2.2.2]octane, 1-butyl-4-(1-methylethyl)-
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.5498 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 200.37779 |
Chemical Identifiers
| CAS Number | 70636-98-5 |
|---|---|
| SMILES | CCCCC12OCC(CO1)(CO2)C(C)C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- (CAS 70636-98-5), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 1-butyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-
The XLogP value of 2.5498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- 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-butyl-4-isopropyl- has 0 hydrogen bond donor(s) and 3 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-butyl-4-isopropyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- is 70636-98-5.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- is C12H22O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- is 214.16 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- 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-butyl-4-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.