![rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one structure](/static/products/506/50669-65-3.png)
rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one
TL;DR: rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one (CAS 50669-65-3) is a chemical compound with molecular formula C11H18ClNO and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chloroethanone
Also Known As: trans-1-(Chloroacetyl)decahydroquinoline, 2-Chloro-1-[(4aS,8aR)-octahydro-1(2H)-quinolinyl]ethanone, rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one, 2-CHLORO-1-(TRANS-OCTAHYDROQUINOLIN-1(2H)-YL)ETHAN-1-ONE, rac-1-((4aR,8aS)-decahydroquinolin-1-yl)-2-chloroethan-1-one
| Molecular Formula | C11H18ClNO |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 2.4064 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.1077 |
| Heavy Atoms | 14 |
| Complexity | 217.33307 |
Chemical Identifiers
| CAS Number | 50669-65-3 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)CCl |
Product Overview
rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one (CAS 50669-65-3), with molecular formula C11H18ClNO and molecular weight 215.11 g/mol. IUPAC: 1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chloroethanone.
Chemical Property Profile of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one
Property Insights of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one
The XLogP value of 2.4064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-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 rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one?
The CAS number of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one is 50669-65-3.
What is the molecular formula of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one?
The molecular formula of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one is C11H18ClNO.
What is the molecular weight of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one?
The molecular weight of rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one is 215.11 g/mol.
Where can I buy rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one?
You can request a quote for rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for rac-1-[(4aR,8aS)-decahydroquinolin-1-yl]-2-chloroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.