Cinitapride
TL;DR: Cinitapride (CAS 66564-14-5) is a chemical compound with molecular formula C21H30N4O4 and molecular weight 402.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide
Also Known As: Cinitapride, Paxapride, Cinitaprida, Cidine, Cinitapridum
| Molecular Formula | C21H30N4O4 |
|---|---|
| Molecular Weight | 402.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.2267 |
| Heavy Atoms | 29 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 66564-14-5 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N |
| InChIKey | ZDLBNXXKDMLZMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cinitapride (CAS 66564-14-5), with molecular formula C21H30N4O4 and molecular weight 402.23 g/mol. IUPAC: 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide.
Chemical Property Profile of Cinitapride
Property Insights of Cinitapride
The XLogP value of 3.6 indicates that Cinitapride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinitapride. Following Lipinski's Rule of Five, Cinitapride has 2 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 Cinitapride?
The CAS number of Cinitapride is 66564-14-5.
What is the molecular formula of Cinitapride?
The molecular formula of Cinitapride is C21H30N4O4.
What is the molecular weight of Cinitapride?
The molecular weight of Cinitapride is 402.23 g/mol.
Where can I buy Cinitapride?
You can request a quote for Cinitapride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinitapride?
Yes, KEHONG BIO provides custom synthesis services for Cinitapride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.