Benidipine Impurity 13
TL;DR: Benidipine Impurity 13 (CAS 75130-34-6) is a chemical compound with molecular formula C21H20N4O6 and molecular weight 424.13828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-cyanoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Benidipine Impurity 13, Lercanidipine Impurity 37, Bis(2-cyanoethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-cyanoethyl 5-[(2-cyanoethyl)oxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3-carboxylate, 3,5-Bis(2-cyanoethyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
Technical Specifications
| Molecular Formula | C21H20N4O6 |
| Molecular Weight | 424.13828 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 424.13828 Da |
| Heavy Atoms | 31 |
| Complexity | 842.0 |
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC#N |
| InChIKey | UTPXNFLURSEJBL-UHFFFAOYSA-N |
Chemical Property Profile of Benidipine Impurity 13
Property Insights of Benidipine Impurity 13
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benidipine Impurity 13. The TPSA of 158.0 Ų indicates high polarity, suggesting Benidipine Impurity 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benidipine Impurity 13 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benidipine Impurity 13?
The CAS number of Benidipine Impurity 13 is 75130-34-6.
What is the molecular formula of Benidipine Impurity 13?
The molecular formula of Benidipine Impurity 13 is C21H20N4O6.
What is the molecular weight of Benidipine Impurity 13?
The molecular weight of Benidipine Impurity 13 is 424.13828 g/mol.
Where can I buy Benidipine Impurity 13?
You can request a quote for Benidipine Impurity 13 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benidipine Impurity 13?
Yes, CoreyChem provides custom synthesis services for Benidipine Impurity 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.