Pinaverium
TL;DR: Pinaverium (CAS 59995-65-2) is a chemical compound with molecular formula C26H41BrNO4+ and molecular weight 510.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium
Also Known As: Pinaverium, Pinaverium ion, Pinaverium cation, Dicetel, PINAVERIUM BROMIDE
| Molecular Formula | C26H41BrNO4+ |
|---|---|
| Molecular Weight | 510.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.2219 |
| Heavy Atoms | 32 |
| Complexity | 596.0 |
| Melting Point | 152-158 |
| Solubility | Slightly soluble |
Chemical Identifiers
| CAS Number | 59995-65-2 |
|---|---|
| SMILES | CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C |
| InChIKey | DDHUTBKXLWCZCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pinaverium (CAS 59995-65-2), with molecular formula C26H41BrNO4+ and molecular weight 510.22 g/mol. IUPAC: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium.
Chemical Property Profile of Pinaverium
Property Insights of Pinaverium
The XLogP value of 5.4 indicates that Pinaverium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, Pinaverium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinaverium has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pinaverium?
The CAS number of Pinaverium is 59995-65-2.
What is the molecular formula of Pinaverium?
The molecular formula of Pinaverium is C26H41BrNO4+.
What is the molecular weight of Pinaverium?
The molecular weight of Pinaverium is 510.22 g/mol.
Where can I buy Pinaverium?
You can request a quote for Pinaverium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinaverium?
Yes, KEHONG BIO provides custom synthesis services for Pinaverium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.