Efonidipine
TL;DR: Efonidipine (CAS 111011-63-3) is a chemical compound with molecular formula C34H38N3O7P and molecular weight 631.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: Efonidipine, Efonidipine [INN], Efonidipino, Landel, efonidipinum
| Molecular Formula | C34H38N3O7P |
|---|---|
| Molecular Weight | 631.24 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 631.24475 |
| Heavy Atoms | 45 |
| Complexity | 1170.0 |
| Boiling Point | 746.9±60.0 °C |
| Solubility | poorly soluble |
Chemical Identifiers
| CAS Number | 111011-63-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | NSVFSAJIGAJDMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Efonidipine (CAS 111011-63-3), with molecular formula C34H38N3O7P and molecular weight 631.24 g/mol. IUPAC: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Efonidipine
Property Insights of Efonidipine
The XLogP value of 5.9 indicates that Efonidipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Efonidipine. Following Lipinski's Rule of Five, Efonidipine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Efonidipine?
The CAS number of Efonidipine is 111011-63-3.
What is the molecular formula of Efonidipine?
The molecular formula of Efonidipine is C34H38N3O7P.
What is the molecular weight of Efonidipine?
The molecular weight of Efonidipine is 631.24 g/mol.
Where can I buy Efonidipine?
You can request a quote for Efonidipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Efonidipine?
Yes, KEHONG BIO provides custom synthesis services for Efonidipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.