贝美司琼
TL;DR: 贝美司琼 (CAS 40796-97-2) is a chemical compound with molecular formula C15H17Cl2NO2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
贝美司琼
(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
| Molecular Formula | C15H17Cl2NO2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.06363 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 40796-97-2 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl |
| InChIKey | MNJNPLVXBISNSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
贝美司琼 (CAS 40796-97-2), with molecular formula C15H17Cl2NO2 and molecular weight 313.06 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dichlorobenzoate.
Chemical Property Profile of 贝美司琼
Property Insights of 贝美司琼
The XLogP value of 4.2 indicates that 贝美司琼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 贝美司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 贝美司琼 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 贝美司琼?
The CAS number of 贝美司琼 is 40796-97-2.
What is the molecular formula of 贝美司琼?
The molecular formula of 贝美司琼 is C15H17Cl2NO2.
What is the molecular weight of 贝美司琼?
The molecular weight of 贝美司琼 is 313.06 g/mol.
Where can I buy 贝美司琼?
You can request a quote for 贝美司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贝美司琼?
Yes, KEHONG BIO provides custom synthesis services for 贝美司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.