Cisapride monohydrate
TL;DR: Cisapride monohydrate (CAS 260779-88-2) is a chemical compound with molecular formula C23H31ClFN3O5 and molecular weight 483.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
Also Known As: Cisapride monohydrate, Propulsid, Cisapride hydrate, cisapride, Acenalin
| Molecular Formula | C23H31ClFN3O5 |
|---|---|
| Molecular Weight | 483.19 g/mol |
| LogP | 2.5334 |
| Topological Polar Surface Area | 117.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.19363 |
| Heavy Atoms | 33 |
| Complexity | 915.715 |
Chemical Identifiers
| CAS Number | 260779-88-2 |
|---|---|
| SMILES | CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O |
Product Overview
Cisapride monohydrate (CAS 260779-88-2), with molecular formula C23H31ClFN3O5 and molecular weight 483.19 g/mol. IUPAC: 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate.
Chemical Property Profile of Cisapride monohydrate
Property Insights of Cisapride monohydrate
The XLogP value of 2.5334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cisapride monohydrate. The TPSA of 117.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Cisapride monohydrate. Following Lipinski's Rule of Five, Cisapride monohydrate 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 Cisapride monohydrate?
The CAS number of Cisapride monohydrate is 260779-88-2.
What is the molecular formula of Cisapride monohydrate?
The molecular formula of Cisapride monohydrate is C23H31ClFN3O5.
What is the molecular weight of Cisapride monohydrate?
The molecular weight of Cisapride monohydrate is 483.19 g/mol.
Where can I buy Cisapride monohydrate?
You can request a quote for Cisapride monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cisapride monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Cisapride monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.