Dehydro nimodipine
TL;DR: Dehydro nimodipine (CAS 85677-93-6) is a chemical compound with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Also Known As: Dehydro nimodipine, Nimodipine EP Impurity A, Nimodipine M (dehydro), Nimodipine Impurity A, Nimodipine related compound A
| Molecular Formula | C21H24N2O7 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.15836 |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 85677-93-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC |
| InChIKey | SJJUCKCPGPCJQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dehydro nimodipine (CAS 85677-93-6), with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol. IUPAC: 5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate.
Chemical Property Profile of Dehydro nimodipine
Property Insights of Dehydro nimodipine
The XLogP value of 3.5 indicates that Dehydro nimodipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydro nimodipine. Following Lipinski's Rule of Five, Dehydro nimodipine has 0 hydrogen bond donor(s) and 8 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 Dehydro nimodipine?
The CAS number of Dehydro nimodipine is 85677-93-6.
What is the molecular formula of Dehydro nimodipine?
The molecular formula of Dehydro nimodipine is C21H24N2O7.
What is the molecular weight of Dehydro nimodipine?
The molecular weight of Dehydro nimodipine is 416.16 g/mol.
Where can I buy Dehydro nimodipine?
You can request a quote for Dehydro nimodipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydro nimodipine?
Yes, KEHONG BIO provides custom synthesis services for Dehydro nimodipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.