贝尼地平
TL;DR: 贝尼地平 (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.
贝尼地平
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
贝尼地平 (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 贝尼地平
Property Insights of 贝尼地平
The XLogP value of 4.6 indicates that 贝尼地平 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 贝尼地平. Following Lipinski's Rule of Five, 贝尼地平 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 贝尼地平?
The CAS number of 贝尼地平 is 91599-75-6.
What is the molecular formula of 贝尼地平?
The molecular formula of 贝尼地平 is C28H31N3O6.
What is the molecular weight of 贝尼地平?
The molecular weight of 贝尼地平 is 505.22 g/mol.
Where can I buy 贝尼地平?
You can request a quote for 贝尼地平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 贝尼地平?
Yes, KEHONG BIO provides custom synthesis services for 贝尼地平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.