Palonidipine
TL;DR: Palonidipine (CAS 96515-73-0) is a chemical compound with molecular formula C29H34FN3O6 and molecular weight 539.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] 3-O-methyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Palonidipine, palonidipino, Palonidipine [INN], palonidipinum, Palonidipine hydrochloride
| Molecular Formula | C29H34FN3O6 |
|---|---|
| Molecular Weight | 539.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 539.24316 |
| Heavy Atoms | 39 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 96515-73-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])F)C(=O)OC |
| InChIKey | MUNSLZPCNUVWCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Palonidipine (CAS 96515-73-0), with molecular formula C29H34FN3O6 and molecular weight 539.24 g/mol. IUPAC: 5-O-[3-[benzyl(methyl)amino]-2,2-dimethylpropyl] 3-O-methyl 4-(2-fluoro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Palonidipine
Property Insights of Palonidipine
The XLogP value of 5.1 indicates that Palonidipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Palonidipine. Following Lipinski's Rule of Five, Palonidipine 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 Palonidipine?
The CAS number of Palonidipine is 96515-73-0.
What is the molecular formula of Palonidipine?
The molecular formula of Palonidipine is C29H34FN3O6.
What is the molecular weight of Palonidipine?
The molecular weight of Palonidipine is 539.24 g/mol.
Where can I buy Palonidipine?
You can request a quote for Palonidipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palonidipine?
Yes, KEHONG BIO provides custom synthesis services for Palonidipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.