Benzquinamide
TL;DR: Benzquinamide (CAS 63-12-7) is a chemical compound with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] acetate
Also Known As: benzquinamide, Promecon, Emeticon, Emete-con, Benzochinamide
| Molecular Formula | C22H32N2O5 |
|---|---|
| Molecular Weight | 404.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.2311 |
| Heavy Atoms | 29 |
| Complexity | 582.0 |
| Melting Point | 130-131.5 |
| Solubility | 153 |
Chemical Identifiers
| CAS Number | 63-12-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC |
| InChIKey | JSZILQVIPPROJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzquinamide (CAS 63-12-7), with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol. IUPAC: [3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] acetate.
Chemical Property Profile of Benzquinamide
Property Insights of Benzquinamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzquinamide. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzquinamide. Following Lipinski's Rule of Five, Benzquinamide has 0 hydrogen bond donor(s) and 6 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 Benzquinamide?
The CAS number of Benzquinamide is 63-12-7.
What is the molecular formula of Benzquinamide?
The molecular formula of Benzquinamide is C22H32N2O5.
What is the molecular weight of Benzquinamide?
The molecular weight of Benzquinamide is 404.23 g/mol.
Where can I buy Benzquinamide?
You can request a quote for Benzquinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzquinamide?
Yes, KEHONG BIO provides custom synthesis services for Benzquinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.