4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-
TL;DR: 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- (CAS 110345-58-9) is a chemical compound with molecular formula C20H26ClNO2 and molecular weight 347.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,4R,4aS,8aS)-4-ethynyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] benzoate;hydrochloride
Also Known As: 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-, (2R,4R,4aS,8aS)-4-Ethynyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1), [(2R,4R,4aS,8aS)-4-ethynyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] benzoate hydrochloride
Technical Specifications
| Molecular Formula | C20H26ClNO2 |
| Molecular Weight | 347.1652 g/mol |
| XLogP | 3.92 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.1652 Da |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
| SMILES | C[C@@H]1C[C@@]([C@H]2CCCC[C@@H]2N1C)(C#C)OC(=O)C3=CC=CC=C3.Cl |
| InChIKey | CYWZHNGATLWUHZ-GYCLNSNTSA-N |
Chemical Property Profile of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-
Property Insights of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-
The XLogP value of 3.92 indicates that 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-?
The CAS number of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- is 110345-58-9.
What is the molecular formula of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-?
The molecular formula of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- is C20H26ClNO2.
What is the molecular weight of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-?
The molecular weight of 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- is 347.1652 g/mol.
Where can I buy 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-?
You can request a quote for 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)-?
Yes, CoreyChem provides custom synthesis services for 4-Quinolinol, decahydro-1,2-dimethyl-4-ethynyl-, benzoate (ester), hydrochloride, (2-alpha,4-beta,4a-alpha,8a-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.