1-Azabicyclo(2.2.2)octane, 4-iodo-
TL;DR: 1-Azabicyclo(2.2.2)octane, 4-iodo- (CAS 27701-90-2) is a chemical compound with molecular formula C7H12IN and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1-azabicyclo[2.2.2]octane
Also Known As: 4-iodo-1-azabicyclo[2.2.2]octane, 1-Azabicyclo(2.2.2)octane, 4-iodo-, 1-Azabicyclo[2.2.2]octane,4-iodo-
| Molecular Formula | C7H12IN |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.00145 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 27701-90-2 |
|---|---|
| SMILES | C1CN2CCC1(CC2)I |
| InChIKey | KLPGPCRMPAELML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Azabicyclo(2.2.2)octane, 4-iodo- (CAS 27701-90-2), with molecular formula C7H12IN and molecular weight 237.00 g/mol. IUPAC: 4-iodo-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 1-Azabicyclo(2.2.2)octane, 4-iodo-
Property Insights of 1-Azabicyclo(2.2.2)octane, 4-iodo-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo(2.2.2)octane, 4-iodo-. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Azabicyclo(2.2.2)octane, 4-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo(2.2.2)octane, 4-iodo- has 0 hydrogen bond donor(s) and 1 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 1-Azabicyclo(2.2.2)octane, 4-iodo-?
The CAS number of 1-Azabicyclo(2.2.2)octane, 4-iodo- is 27701-90-2.
What is the molecular formula of 1-Azabicyclo(2.2.2)octane, 4-iodo-?
The molecular formula of 1-Azabicyclo(2.2.2)octane, 4-iodo- is C7H12IN.
What is the molecular weight of 1-Azabicyclo(2.2.2)octane, 4-iodo-?
The molecular weight of 1-Azabicyclo(2.2.2)octane, 4-iodo- is 237.00 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)octane, 4-iodo-?
You can request a quote for 1-Azabicyclo(2.2.2)octane, 4-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo(2.2.2)octane, 4-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(2.2.2)octane, 4-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.