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1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate
TL;DR: 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate (CAS 320347-97-5) is a chemical compound with molecular formula C17H19NO3S2 and molecular weight 349.08 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 2-hydroxy-2,2-dithiophen-2-ylacetate
Also Known As: (R)-3-Quinuclidinyl di(2-thienyl)glycolate, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate, 2-Thiopheneacetic acid,a-hydroxy-a-2-thienyl-,(3R)-1-azabicyclo[2.2.2]oct-3-ylester, 1-azabicyclo[2.2.2]oct-8-yl 2-hydroxy-2,2-dithiophen-2-yl-acetate, 2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester
| Molecular Formula | C17H19NO3S2 |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 2.6829 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.08063 |
| Heavy Atoms | 23 |
| Complexity | 625.83954 |
Chemical Identifiers
| CAS Number | 320347-97-5 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O |
Product Overview
1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate (CAS 320347-97-5), with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate.
Chemical Property Profile of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate
Property Insights of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate
The XLogP value of 2.6829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate. With a topological polar surface area (TPSA) of 49.77 Ų, 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate has 1 hydrogen bond donor(s) and 6 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]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate?
The CAS number of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate is 320347-97-5.
What is the molecular formula of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate?
The molecular formula of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate is C17H19NO3S2.
What is the molecular weight of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate?
The molecular weight of 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate is 349.08 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate?
You can request a quote for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate 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]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-dithiophen-2-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.