3-Benzoyloxynortropanoacetomesidide hydrochloride
TL;DR: 3-Benzoyloxynortropanoacetomesidide hydrochloride (CAS 123202-97-1) is a chemical compound with molecular formula C25H31ClN2O3 and molecular weight 442.20233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate;hydrochloride
Also Known As: 3-Benzoyloxynortropanoacetomesidide hydrochloride, 8-Azabicyclo(3.2.1)octane-8-acetamide, 3-(benzoyloxy)-N-(2,4,6-trimethylphenyl)-, monohydrochloride, [8-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate;hydrochloride, [3-(Benzoyloxy)-8-azabicyclo[3.2.1]octan-8-yl]-N-(2,4,6-trimethylphenyl)ethanimidic acid--hydrogen chloride (1/1), [8-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate hydrochloride
Technical Specifications
| Molecular Formula | C25H31ClN2O3 |
| Molecular Weight | 442.20233 g/mol |
| XLogP | 4.82456 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.20233 Da |
| Heavy Atoms | 31 |
| Complexity | 592.0 |
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CN2C3CCC2CC(C3)OC(=O)C4=CC=CC=C4)C.Cl |
| InChIKey | KIAIISMPVMJDHZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzoyloxynortropanoacetomesidide hydrochloride
Property Insights of 3-Benzoyloxynortropanoacetomesidide hydrochloride
The XLogP value of 4.82456 indicates that 3-Benzoyloxynortropanoacetomesidide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, 3-Benzoyloxynortropanoacetomesidide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyloxynortropanoacetomesidide hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Benzoyloxynortropanoacetomesidide hydrochloride?
The CAS number of 3-Benzoyloxynortropanoacetomesidide hydrochloride is 123202-97-1.
What is the molecular formula of 3-Benzoyloxynortropanoacetomesidide hydrochloride?
The molecular formula of 3-Benzoyloxynortropanoacetomesidide hydrochloride is C25H31ClN2O3.
What is the molecular weight of 3-Benzoyloxynortropanoacetomesidide hydrochloride?
The molecular weight of 3-Benzoyloxynortropanoacetomesidide hydrochloride is 442.20233 g/mol.
Where can I buy 3-Benzoyloxynortropanoacetomesidide hydrochloride?
You can request a quote for 3-Benzoyloxynortropanoacetomesidide hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzoyloxynortropanoacetomesidide hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-Benzoyloxynortropanoacetomesidide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.