Nesapidil
TL;DR: Nesapidil (CAS 118778-75-9) is a chemical compound with molecular formula C23H28N4O4 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
Also Known As: Nesapidil, Nesapidil [INN], nesapidilum, Nesapidil [WHO-DD], Nesapidil [INN:WHO-DD]
| Molecular Formula | C23H28N4O4 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.21106 |
| Heavy Atoms | 31 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 118778-75-9 |
|---|---|
| SMILES | CC1=NN=C(O1)C2=CC(=CC=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O |
| InChIKey | FYKZHAJQLBLBJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nesapidil (CAS 118778-75-9), with molecular formula C23H28N4O4 and molecular weight 424.21 g/mol. IUPAC: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.
Chemical Property Profile of Nesapidil
Property Insights of Nesapidil
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nesapidil. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Nesapidil. Following Lipinski's Rule of Five, Nesapidil has 1 hydrogen bond donor(s) and 8 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 Nesapidil?
The CAS number of Nesapidil is 118778-75-9.
What is the molecular formula of Nesapidil?
The molecular formula of Nesapidil is C23H28N4O4.
What is the molecular weight of Nesapidil?
The molecular weight of Nesapidil is 424.21 g/mol.
Where can I buy Nesapidil?
You can request a quote for Nesapidil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nesapidil?
Yes, KEHONG BIO provides custom synthesis services for Nesapidil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.