m-Nifedipine
TL;DR: m-Nifedipine (CAS 21881-77-6) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: M-Nifedipine, 3-nifedipine, Benidipine Impurity 4, Lercanidipine Impurity-4, m-Nifedipine (Standard)
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 21881-77-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | MCTRZKAKODSRLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Nifedipine (CAS 21881-77-6), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of m-Nifedipine
Property Insights of m-Nifedipine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Nifedipine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Nifedipine. Following Lipinski's Rule of Five, m-Nifedipine 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 m-Nifedipine?
The CAS number of m-Nifedipine is 21881-77-6.
What is the molecular formula of m-Nifedipine?
The molecular formula of m-Nifedipine is C17H18N2O6.
What is the molecular weight of m-Nifedipine?
The molecular weight of m-Nifedipine is 346.12 g/mol.
Where can I buy m-Nifedipine?
You can request a quote for m-Nifedipine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Nifedipine?
Yes, KEHONG BIO provides custom synthesis services for m-Nifedipine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.