![(2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one structure](/static/products/299/299164-08-2.png)
(2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
TL;DR: (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 299164-08-2) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Also Known As: JocDPGZ@PeL LryQv[truSUTBEH, 2-(2-Thienylmethylene)quinuclidin-3-one, BAS 02378002, 2-(2-thienylmethylene)-3-quinuclidinone, (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
| Molecular Formula | C12H13NOS |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.0718 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 299164-08-2 |
|---|---|
| SMILES | C1CN\2CCC1C(=O)/C2=C\C3=CC=CS3 |
| InChIKey | NZBSBCCCGCUASD-DHZHZOJOSA-N |
Product Overview
(2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 299164-08-2), with molecular formula C12H13NOS and molecular weight 219.07 g/mol. IUPAC: (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Property Insights of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one. With a topological polar surface area (TPSA) of 48.6 Ų, (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one 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 (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
The CAS number of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is 299164-08-2.
What is the molecular formula of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular formula of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is C12H13NOS.
What is the molecular weight of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular weight of (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is 219.07 g/mol.
Where can I buy (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
You can request a quote for (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.