2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- (CAS 130523-82-9) is a chemical compound with molecular formula C15H17IO3 and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-iodophenyl)-4-[(1R,2R)-2-methylcyclopropyl]-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-, 4-(4-iodophenyl)-1-[(1R,2R)-2-methylcyclopropyl]-3,5,8-trioxabicyclo[2.2.2]octane, 1-(4-Iodophenyl)-4-[(1R,2R)-2-methylcyclopropyl]-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H17IO3 |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.02225 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 130523-82-9 |
|---|---|
| SMILES | C[C@@H]1C[C@H]1C23COC(OC2)(OC3)C4=CC=C(C=C4)I |
| InChIKey | MBAWLIMPSAVLJR-CAUURFFESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- (CAS 130523-82-9), with molecular formula C15H17IO3 and molecular weight 372.02 g/mol. IUPAC: 1-(4-iodophenyl)-4-[(1R,2R)-2-methylcyclopropyl]-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-
The XLogP value of 3.0 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- 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-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- 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-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- is 130523-82-9.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- is C15H17IO3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- is 372.02 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- 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-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(2-methylcyclopropyl)-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.