![1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- structure](/static/products/978/97812-34-5.png)
1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-
TL;DR: 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- (CAS 97812-34-5) is a chemical compound with molecular formula C6H9ClN2O and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,2-diazabicyclo[2.2.2]octan-3-one
Also Known As: 2-chloro-1,2-diazabicyclo(2.2.2)octan-3-one, 2-Chloro-1,2-diazabicyclo[2.2.2]octan-3-one, 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-, 2-Chloro-1,2-diazabicyclo[2.2.2]octan-3-one #
| Molecular Formula | C6H9ClN2O |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.04034 |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 97812-34-5 |
|---|---|
| SMILES | C1CN2CCC1C(=O)N2Cl |
| InChIKey | VLTDSWJMKODZPQ-UHFFFAOYSA-N |
Product Overview
1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- (CAS 97812-34-5), with molecular formula C6H9ClN2O and molecular weight 160.04 g/mol. IUPAC: 2-chloro-1,2-diazabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-
Property Insights of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-. With a topological polar surface area (TPSA) of 23.6 Ų, 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- has 0 hydrogen bond donor(s) and 2 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 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-?
The CAS number of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- is 97812-34-5.
What is the molecular formula of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-?
The molecular formula of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- is C6H9ClN2O.
What is the molecular weight of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-?
The molecular weight of 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- is 160.04 g/mol.
Where can I buy 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-?
You can request a quote for 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diazabicyclo[2.2.2]octene-3-one, 2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.