Benidipine
TL;DR: Benidipine (CAS 91599-75-6) is a chemical compound with molecular formula C28H31N3O6 and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Benidipine, Coniel, Benidipino, Benidipine Impurity 7, Benidipine5-(1-Benzylpiperidin-3-yl)
| Molecular Formula | C28H31N3O6 |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.22128 |
| Heavy Atoms | 37 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 91599-75-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
| InChIKey | QZVNQOLPLYWLHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benidipine (CAS 91599-75-6), with molecular formula C28H31N3O6 and molecular weight 505.22 g/mol. IUPAC: 5-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Benidipine
Property Insights of Benidipine
The XLogP value of 4.6 indicates that Benidipine 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 Benidipine. Following Lipinski's Rule of Five, Benidipine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benidipine?
The CAS number of Benidipine is 91599-75-6.
What is the molecular formula of Benidipine?
The molecular formula of Benidipine is C28H31N3O6.
What is the molecular weight of Benidipine?
The molecular weight of Benidipine is 505.22 g/mol.
Where can I buy Benidipine?
You can request a quote for Benidipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benidipine?
Yes, KEHONG BIO provides custom synthesis services for Benidipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.