2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)
TL;DR: 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) (CAS 63916-73-4) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.14957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride
Also Known As: cis-Decahydro-2-methylisoquinolin-8-yl benzoate hydrochloride, cis-Decahydro-8-benzoyloxy-2-methylisoquinoline hydrochloride, Isoquinoline, decahydro-8-benzoyloxy-2-methyl-, hydrochloride, (Z)-, BENZOIC ACID, DECAHYDRO-2-METHYLISOQUINOLIN-8-YL ESTER, HYDROCHLORIDE, (Z)-, 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C17H24ClNO2 |
| Molecular Weight | 309.14957 g/mol |
| XLogP | -1.45 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.14957 Da |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
| SMILES | C[NH+]1CC[C@@H]2CCCC([C@@H]2C1)OC(=O)C3=CC=CC=C3.[Cl-] |
| InChIKey | YSHZIKZWOGLLFO-RDXSVFNDSA-N |
Chemical Property Profile of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)
Property Insights of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)
The XLogP value of -1.45 indicates that 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) 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 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)?
The CAS number of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) is 63916-73-4.
What is the molecular formula of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)?
The molecular formula of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) is C17H24ClNO2.
What is the molecular weight of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)?
The molecular weight of 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) is 309.14957 g/mol.
Where can I buy 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)?
You can request a quote for 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.