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1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone
TL;DR: 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone (CAS 6044-14-0) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl(thiophen-2-yl)methanone
Also Known As: ChemDiv2_000420, (3-quinuclidyl)(2-thienyl)ketone, quinuclidin-3-yl 2-thienyl ketone, BAS 03662599, BIM-0007817.P001
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.2726 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 351.70883 |
Chemical Identifiers
| CAS Number | 6044-14-0 |
|---|---|
| SMILES | C1CN2CCC1C(C2)C(=O)C3=CC=CS3 |
Product Overview
1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone (CAS 6044-14-0), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl(thiophen-2-yl)methanone.
Chemical Property Profile of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone
Property Insights of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone
The XLogP value of 2.2726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone 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 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone?
The CAS number of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone is 6044-14-0.
What is the molecular formula of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone?
The molecular formula of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone is C12H15NOS.
What is the molecular weight of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone?
The molecular weight of 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone is 221.09 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone?
You can request a quote for 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone 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]oct-3-yl(2-thienyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.