nimodipine
TL;DR: nimodipine (CAS 77940-93-3) is a chemical compound with molecular formula C21H26N2O7 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: nimodipine, (S)-nimodipine, Nimodipine, (S)-, (R)-nimodipine, S(-)-Nimodipine
| Molecular Formula | C21H26N2O7 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.174 |
| Heavy Atoms | 30 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 77940-93-3 |
|---|---|
| SMILES | CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC |
| InChIKey | UIAGMCDKSXEBJQ-IBGZPJMESA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
nimodipine (CAS 77940-93-3), with molecular formula C21H26N2O7 and molecular weight 418.17 g/mol. IUPAC: 3-O-(2-methoxyethyl) 5-O-propan-2-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of nimodipine
Property Insights of nimodipine
The XLogP value of 3.1 indicates that nimodipine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for nimodipine. Following Lipinski's Rule of Five, nimodipine has 1 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 nimodipine?
The CAS number of nimodipine is 77940-93-3.
What is the molecular formula of nimodipine?
The molecular formula of nimodipine is C21H26N2O7.
What is the molecular weight of nimodipine?
The molecular weight of nimodipine is 418.17 g/mol.
Where can I buy nimodipine?
You can request a quote for nimodipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nimodipine?
Yes, KEHONG BIO provides custom synthesis services for nimodipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.