Cisapride Demethoxy
TL;DR: Cisapride Demethoxy (CAS 126657-53-2) is a chemical compound with molecular formula C22H27ClFN3O3 and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-2-methoxybenzamide
Also Known As: Cisapride Demethoxy, Cisapridedemethoxy, J1.875.048A, 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-4-piperidyl]-2-methoxy-benzamide, 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-2-methoxybenzamide
| Molecular Formula | C22H27ClFN3O3 |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 3.7332 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1725 |
| Heavy Atoms | 30 |
| Complexity | 855.4514 |
Chemical Identifiers
| CAS Number | 126657-53-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCCOC3=CC=C(C=C3)F)Cl)N |
Product Overview
Cisapride Demethoxy (CAS 126657-53-2), with molecular formula C22H27ClFN3O3 and molecular weight 435.17 g/mol. IUPAC: 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-2-methoxybenzamide.
Chemical Property Profile of Cisapride Demethoxy
Property Insights of Cisapride Demethoxy
The XLogP value of 3.7332 indicates that Cisapride Demethoxy is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Cisapride Demethoxy. Following Lipinski's Rule of Five, Cisapride Demethoxy has 2 hydrogen bond donor(s) and 5 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 Cisapride Demethoxy?
The CAS number of Cisapride Demethoxy is 126657-53-2.
What is the molecular formula of Cisapride Demethoxy?
The molecular formula of Cisapride Demethoxy is C22H27ClFN3O3.
What is the molecular weight of Cisapride Demethoxy?
The molecular weight of Cisapride Demethoxy is 435.17 g/mol.
Where can I buy Cisapride Demethoxy?
You can request a quote for Cisapride Demethoxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cisapride Demethoxy?
Yes, KEHONG BIO provides custom synthesis services for Cisapride Demethoxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.