Efonidipine Hydrochloride
TL;DR: Efonidipine Hydrochloride (CAS 111011-53-1) is a chemical compound with molecular formula C34H39ClN3O7P and molecular weight 667.22 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;hydrochloride
Also Known As: efonidipine hydrochloride, Efonidipine HCl, Efonidipine, Efonidipine (hydrochloride), NZ-105 hydrochloride
| Molecular Formula | C34H39ClN3O7P |
|---|---|
| Molecular Weight | 667.22 g/mol |
| LogP | 7.73 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 667.22144 |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 111011-53-1 |
|---|---|
| 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.Cl |
| InChIKey | OXVTXPCIJDYQIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Efonidipine Hydrochloride (CAS 111011-53-1), with molecular formula C34H39ClN3O7P and molecular weight 667.22 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;hydrochloride.
Chemical Property Profile of Efonidipine Hydrochloride
Property Insights of Efonidipine Hydrochloride
The XLogP value of 7.73 indicates that Efonidipine Hydrochloride 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 Hydrochloride. Following Lipinski's Rule of Five, Efonidipine Hydrochloride has 2 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 Hydrochloride?
The CAS number of Efonidipine Hydrochloride is 111011-53-1.
What is the molecular formula of Efonidipine Hydrochloride?
The molecular formula of Efonidipine Hydrochloride is C34H39ClN3O7P.
What is the molecular weight of Efonidipine Hydrochloride?
The molecular weight of Efonidipine Hydrochloride is 667.22 g/mol.
Where can I buy Efonidipine Hydrochloride?
You can request a quote for Efonidipine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Efonidipine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Efonidipine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.