2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone
TL;DR: 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone (CAS 116373-84-3) is a chemical compound with molecular formula C11H17ClO2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethanone
Also Known As: Ketone, chloromethyl hexahydro-6-hydroxyidan-1-yl, 2-CHLORO-1-(OCTAHYDRO-6-HYDROXY-1H-INDEN-1-YL)-ETHANONE, Ethanone, 2-chloro-1-(octahydro-6-hydroxy-1H-inden-1-yl)- (9CI), 2-chloro-1-(6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethanone, 2-Chloro-1-(6-hydroxyoctahydro-1H-inden-1-yl)ethan-1-one
| Molecular Formula | C11H17ClO2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0917 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 116373-84-3 |
|---|---|
| SMILES | C1CC(CC2C1CCC2C(=O)CCl)O |
| InChIKey | UGZFMOUIJAVIJS-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone (CAS 116373-84-3), with molecular formula C11H17ClO2 and molecular weight 216.09 g/mol. IUPAC: 2-chloro-1-(6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethanone.
Chemical Property Profile of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone
Property Insights of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone has 1 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 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone?
The CAS number of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone is 116373-84-3.
What is the molecular formula of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone?
The molecular formula of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone is C11H17ClO2.
What is the molecular weight of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone?
The molecular weight of 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone is 216.09 g/mol.
Where can I buy 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone?
You can request a quote for 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(octahydro-6-hydroxy-1H-inden-1-YL)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.