8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate
TL;DR: 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate (CAS 40796-97-2) is a chemical compound with molecular formula C15H17Cl2NO2 and molecular weight 313.06363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dichlorobenzoate
Also Known As: Bemesetronum, 3-Tropanyl-3,5-dichlorobenzoate, MDL 72222, Bemesetron [USAN:INN], Tropyl 3,5-dichlorobenzoate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H17Cl2NO2 |
| Molecular Weight | 313.06363 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.06363 Da |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl |
| InChIKey | MNJNPLVXBISNSX-UHFFFAOYSA-N |
Product Description
Applications: 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is a pharmaceutical intermediate identified by CAS number 40796-97-2 and the molecular formula C15H17Cl2NO2 and a molecular weight of 313.06 g/mol. Synonyms include Bemesetronum and 3-Tropanyl-3,5-dichlorobenzoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate
Property Insights of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate
The XLogP value of 4.2 indicates that 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate 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
What is the CAS number of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate?
The CAS number of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is 40796-97-2.
What is the molecular formula of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate?
The molecular formula of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is C15H17Cl2NO2.
What is the molecular weight of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate?
The molecular weight of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is 313.06363 g/mol.
What are the applications of 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate?
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate?
You can request a quote for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate?
Yes, CoreyChem provides custom synthesis services for 8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 3,5-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.