![[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol structure](/static/products/5773/57734-75-5.webp)
[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol
TL;DR: [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol (CAS 57734-75-5) is a chemical compound with molecular formula C16H19NOS2 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol
Also Known As: 1-azabicyclo[2.2.2]oct-3-yl(di-2-thienyl)methanol, [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol
| Molecular Formula | C16H19NOS2 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.09082 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 57734-75-5 |
|---|---|
| SMILES | C1CN2CCC1[C@@H](C2)C(C3=CC=CS3)(C4=CC=CS4)O |
| InChIKey | CTYCSOSPTSAGHP-CYBMUJFWSA-N |
Product Overview
[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol (CAS 57734-75-5), with molecular formula C16H19NOS2 and molecular weight 305.09 g/mol. IUPAC: [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol.
Chemical Property Profile of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol
Property Insights of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol. Following Lipinski's Rule of Five, [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol has 1 hydrogen bond donor(s) and 4 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 [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol?
The CAS number of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol is 57734-75-5.
What is the molecular formula of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol?
The molecular formula of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol is C16H19NOS2.
What is the molecular weight of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol?
The molecular weight of [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol is 305.09 g/mol.
Where can I buy [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol?
You can request a quote for [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol?
Yes, KEHONG BIO provides custom synthesis services for [(3S)-1-azabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.