![4-Chloro-1-methylbicyclo[2.2.2]octan-2-one structure](/static/products/7697/7697-12-3.webp)
4-Chloro-1-methylbicyclo[2.2.2]octan-2-one
TL;DR: 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one (CAS 7697-12-3) is a chemical compound with molecular formula C9H13ClO and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methylbicyclo[2.2.2]octan-2-one
Also Known As: 4-chloro-1-methylbicyclo[2.2.2]octan-2-one
| Molecular Formula | C9H13ClO |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06549 |
| Heavy Atoms | 11 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 7697-12-3 |
|---|---|
| SMILES | CC12CCC(CC1)(CC2=O)Cl |
| InChIKey | IKFKGXNAOAQQIR-UHFFFAOYSA-N |
Product Overview
4-Chloro-1-methylbicyclo[2.2.2]octan-2-one (CAS 7697-12-3), with molecular formula C9H13ClO and molecular weight 172.07 g/mol. IUPAC: 4-chloro-1-methylbicyclo[2.2.2]octan-2-one.
Chemical Property Profile of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one
Property Insights of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one 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 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one?
The CAS number of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one is 7697-12-3.
What is the molecular formula of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one?
The molecular formula of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one is C9H13ClO.
What is the molecular weight of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one?
The molecular weight of 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one is 172.07 g/mol.
Where can I buy 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one?
You can request a quote for 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-methylbicyclo[2.2.2]octan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.