4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)
TL;DR: 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) (CAS 110345-60-3) is a chemical compound with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,4aS,8aS)-4-ethenyl-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-ethenyl-, benzoate (ester), hydrochloride, (2-alpha,4-alpha,4a-alpha,8a-beta)-, 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1), (2R,4R,4aS,8aS)-4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1), [(2R,4R,4aS,8aS)-4-ethenyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] benzoate hydrochloride, [(2R,4S,4aS,8aS)-4-ethenyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] benzoate hydrochloride
| Molecular Formula | C20H28ClNO2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 4.4728 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.18085 |
| Heavy Atoms | 24 |
| Complexity | 576.2614 |
Chemical Identifiers
| CAS Number | 110345-60-3 |
|---|---|
| SMILES | C[C@@H]1C[C@]([C@H]2CCCC[C@@H]2N1C)(C=C)OC(=O)C3=CC=CC=C3.Cl |
Product Overview
4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) (CAS 110345-60-3), with molecular formula C20H28ClNO2 and molecular weight 349.18 g/mol. IUPAC: [(2R,4R,4aS,8aS)-4-ethenyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] benzoate;hydrochloride.
Chemical Property Profile of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)
Property Insights of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)
The XLogP value of 4.4728 indicates that 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) has 0 hydrogen bond donor(s) and 3 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-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)?
The CAS number of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) is 110345-60-3.
What is the molecular formula of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)?
The molecular formula of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) is C20H28ClNO2.
What is the molecular weight of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)?
The molecular weight of 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) is 349.18 g/mol.
Where can I buy 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)?
You can request a quote for 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethenyl-1,2-dimethyldecahydroquinolin-4-yl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.