Benzoquinamide hydrochloride
TL;DR: Benzoquinamide hydrochloride (CAS 113-69-9) is a chemical compound with molecular formula C22H33ClN2O5 and molecular weight 440.21 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;hydrochloride
Also Known As: Benzquinamide hydrochloride, Promecon, Emete-con, Benzoquinamide hydrochloride, Benzquinamide HCl
| Molecular Formula | C22H33ClN2O5 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 2.84 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.2078 |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 113-69-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC.Cl |
| InChIKey | KZLNXGBVFTWMPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoquinamide hydrochloride (CAS 113-69-9), with molecular formula C22H33ClN2O5 and molecular weight 440.21 g/mol. IUPAC: [3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] acetate;hydrochloride.
Chemical Property Profile of Benzoquinamide hydrochloride
Property Insights of Benzoquinamide hydrochloride
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoquinamide hydrochloride. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoquinamide hydrochloride. Following Lipinski's Rule of Five, Benzoquinamide hydrochloride has 1 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 Benzoquinamide hydrochloride?
The CAS number of Benzoquinamide hydrochloride is 113-69-9.
What is the molecular formula of Benzoquinamide hydrochloride?
The molecular formula of Benzoquinamide hydrochloride is C22H33ClN2O5.
What is the molecular weight of Benzoquinamide hydrochloride?
The molecular weight of Benzoquinamide hydrochloride is 440.21 g/mol.
Where can I buy Benzoquinamide hydrochloride?
You can request a quote for Benzoquinamide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoquinamide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoquinamide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.