多潘立酮
TL;DR: 多潘立酮 (CAS 57808-66-9) is a chemical compound with molecular formula C22H24ClN5O2 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
多潘立酮
6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Also Known As: domperidone, Motilium, Domperidona, Domperidonum, Nauzelin
| Molecular Formula | C22H24ClN5O2 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.16187 |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
| Melting Point | 242.5 |
| Solubility | 0.986 |
Chemical Identifiers
| CAS Number | 57808-66-9 |
|---|---|
| SMILES | C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O |
| InChIKey | FGXWKSZFVQUSTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多潘立酮 (CAS 57808-66-9), with molecular formula C22H24ClN5O2 and molecular weight 425.16 g/mol. IUPAC: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
Chemical Property Profile of 多潘立酮
Property Insights of 多潘立酮
The XLogP value of 3.9 indicates that 多潘立酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 多潘立酮. Following Lipinski's Rule of Five, 多潘立酮 has 2 hydrogen bond donor(s) and 3 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 多潘立酮?
The CAS number of 多潘立酮 is 57808-66-9.
What is the molecular formula of 多潘立酮?
The molecular formula of 多潘立酮 is C22H24ClN5O2.
What is the molecular weight of 多潘立酮?
The molecular weight of 多潘立酮 is 425.16 g/mol.
Where can I buy 多潘立酮?
You can request a quote for 多潘立酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多潘立酮?
Yes, KEHONG BIO provides custom synthesis services for 多潘立酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.