![1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- structure](/static/products/6546/654645-07-5.webp)
1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-
TL;DR: 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- (CAS 654645-07-5) 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.
2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
Also Known As: 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-, 2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol, 1-Azabicyclo[2.2.2]octan-3-ol,2-(3-thienylmethylene), 2-[(Thiophen-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.1755 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 358.98364 |
Chemical Identifiers
| CAS Number | 654645-07-5 |
|---|---|
| SMILES | C1CN2CCC1C(C2=CC3=CSC=C3)O |
Product Overview
1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- (CAS 654645-07-5), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: 2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol.
Chemical Property Profile of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-
Property Insights of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-
The XLogP value of 2.1755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-. With a topological polar surface area (TPSA) of 23.47 Ų, 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- has 1 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]octan-3-ol, 2-(3-thienylmethylene)-?
The CAS number of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- is 654645-07-5.
What is the molecular formula of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-?
The molecular formula of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- is C12H15NOS.
What is the molecular weight of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-?
The molecular weight of 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- is 221.09 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)-?
You can request a quote for 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- 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-ol, 2-(3-thienylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]octan-3-ol, 2-(3-thienylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.