Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride
TL;DR: Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride (CAS 52123-58-7) is a chemical compound with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
Also Known As: Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride, exo-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-3-carboxylic acid ethyl ester hydrochloride, 8-Azabicyclo(3.2.1)octane-3-carboxylic acid, 8-methyl-3-phenyl-, ethyl ester, hydrochloride, exo-, ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride, ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate,hydrochloride
| Molecular Formula | C17H24ClNO2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 3.1659 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.14957 |
| Heavy Atoms | 21 |
| Complexity | 476.8233 |
Chemical Identifiers
| CAS Number | 52123-58-7 |
|---|---|
| SMILES | CCOC(=O)C1(CC2CCC(C1)N2C)C3=CC=CC=C3.Cl |
Product Overview
Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride (CAS 52123-58-7), with molecular formula C17H24ClNO2 and molecular weight 309.15 g/mol. IUPAC: ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.
Chemical Property Profile of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride
Property Insights of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride
The XLogP value of 3.1659 indicates that Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride 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 Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride?
The CAS number of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride is 52123-58-7.
What is the molecular formula of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride?
The molecular formula of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride is C17H24ClNO2.
What is the molecular weight of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride?
The molecular weight of Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride is 309.15 g/mol.
Where can I buy Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride?
You can request a quote for Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-beta-phenyl-1-alpha-H,5-alpha-H-tropane-3-alpha-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.