Benidipine Impurity 69
TL;DR: Benidipine Impurity 69 (CAS 54527-89-8) is a chemical compound with molecular formula C18H19ClN2O6 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(2-chloroethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Benidipine Impurity 69, Nicardipine Impurity 61, EINECS 259-200-3, 2-Chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, 3-(2-CHLOROETHYL) 5-METHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
| Molecular Formula | C18H19ClN2O6 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 2.7846 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.09317 |
| Heavy Atoms | 27 |
| Complexity | 846.00854 |
Chemical Identifiers
| CAS Number | 54527-89-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCCl)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Benidipine Impurity 69 (CAS 54527-89-8), with molecular formula C18H19ClN2O6 and molecular weight 394.09 g/mol. IUPAC: 5-O-(2-chloroethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Benidipine Impurity 69
Property Insights of Benidipine Impurity 69
The XLogP value of 2.7846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benidipine Impurity 69. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Benidipine Impurity 69. Following Lipinski's Rule of Five, Benidipine Impurity 69 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benidipine Impurity 69?
The CAS number of Benidipine Impurity 69 is 54527-89-8.
What is the molecular formula of Benidipine Impurity 69?
The molecular formula of Benidipine Impurity 69 is C18H19ClN2O6.
What is the molecular weight of Benidipine Impurity 69?
The molecular weight of Benidipine Impurity 69 is 394.09 g/mol.
Where can I buy Benidipine Impurity 69?
You can request a quote for Benidipine Impurity 69 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benidipine Impurity 69?
Yes, KEHONG BIO provides custom synthesis services for Benidipine Impurity 69 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.