维拉帕米
TL;DR: 维拉帕米 (CAS 52-53-9) is a chemical compound with molecular formula C27H38N2O4 and molecular weight 454.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
维拉帕米
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Also Known As: VERAPAMIL, Iproveratril, Dilacoran, Vasolan, Verapamilo
| Molecular Formula | C27H38N2O4 |
|---|---|
| Molecular Weight | 454.28 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 454.28317 |
| Heavy Atoms | 33 |
| Complexity | 606.0 |
| Melting Point | < 25 °C |
| Boiling Point | BP: 245 °C at 0.01 mm Hg |
| Solubility | Solubility (mg/mL): water 83, ethanol (200 proof) 26, propylene glycol 93, ethanol (190 proof) >100, methanol >100, 2-propanol 4.6, ethyl acetate 1.0, DMF >100, methylene chloride >100, hexane 0.001; Freely soluble in chloroform, practically insoluble in ether /Verapamil hydrochloride/ |
| Refractive Index | 1.5448 at 25 °C |
Chemical Identifiers
| CAS Number | 52-53-9 |
|---|---|
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC |
| InChIKey | SGTNSNPWRIOYBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
维拉帕米 (CAS 52-53-9), with molecular formula C27H38N2O4 and molecular weight 454.28 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile.
Chemical Property Profile of 维拉帕米
Property Insights of 维拉帕米
The XLogP value of 3.8 indicates that 维拉帕米 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 维拉帕米. Following Lipinski's Rule of Five, 维拉帕米 has 0 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 维拉帕米?
The CAS number of 维拉帕米 is 52-53-9.
What is the molecular formula of 维拉帕米?
The molecular formula of 维拉帕米 is C27H38N2O4.
What is the molecular weight of 维拉帕米?
The molecular weight of 维拉帕米 is 454.28 g/mol.
Where can I buy 维拉帕米?
You can request a quote for 维拉帕米 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 维拉帕米?
Yes, KEHONG BIO provides custom synthesis services for 维拉帕米 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.