![Bicyclo[2.2.2]octanone, 3-chloro- structure](/static/products/238/23804-48-0.png)
Bicyclo[2.2.2]octanone, 3-chloro-
TL;DR: Bicyclo[2.2.2]octanone, 3-chloro- (CAS 23804-48-0) is a chemical compound with molecular formula C8H11ClO and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobicyclo[2.2.2]octan-2-one
Also Known As: Bicyclo[2.2.2]octanone, 3-chloro-, 2-chlorobicyclo[2.2.2]octan-3-one, 3-Chlorobicyclo[2.2.2]octan-2-one, 3-Chlorobicyclo[2.2.2]octan-2-one #, Bicyclo[2.2.2]octan-2-one, 3-chloro-
| Molecular Formula | C8H11ClO |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.04984 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 23804-48-0 |
|---|---|
| SMILES | C1CC2CCC1C(C2=O)Cl |
| InChIKey | IWNRIPIVJYCORH-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]octanone, 3-chloro- (CAS 23804-48-0), with molecular formula C8H11ClO and molecular weight 158.05 g/mol. IUPAC: 3-chlorobicyclo[2.2.2]octan-2-one.
Chemical Property Profile of Bicyclo[2.2.2]octanone, 3-chloro-
Property Insights of Bicyclo[2.2.2]octanone, 3-chloro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]octanone, 3-chloro-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[2.2.2]octanone, 3-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]octanone, 3-chloro- has 0 hydrogen bond donor(s) and 1 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 Bicyclo[2.2.2]octanone, 3-chloro-?
The CAS number of Bicyclo[2.2.2]octanone, 3-chloro- is 23804-48-0.
What is the molecular formula of Bicyclo[2.2.2]octanone, 3-chloro-?
The molecular formula of Bicyclo[2.2.2]octanone, 3-chloro- is C8H11ClO.
What is the molecular weight of Bicyclo[2.2.2]octanone, 3-chloro-?
The molecular weight of Bicyclo[2.2.2]octanone, 3-chloro- is 158.05 g/mol.
Where can I buy Bicyclo[2.2.2]octanone, 3-chloro-?
You can request a quote for Bicyclo[2.2.2]octanone, 3-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]octanone, 3-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]octanone, 3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.