硝苯地平
TL;DR: 硝苯地平 (CAS 21829-25-4) 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.
硝苯地平
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: nifedipine, Procardia, Adalat, Cordipin, Corinfar
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.2 |
| 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 |
| Melting Point | 342 to 173.9 °C |
| Solubility | less than 1 mg/mL at 67.1 °F (NTP, 1992) |
| Vapor Pressure | 2.6X10-8 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 21829-25-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
| InChIKey | HYIMSNHJOBLJNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝苯地平 (CAS 21829-25-4), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 硝苯地平
Property Insights of 硝苯地平
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝苯地平. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝苯地平. Following Lipinski's Rule of Five, 硝苯地平 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 硝苯地平?
The CAS number of 硝苯地平 is 21829-25-4.
What is the molecular formula of 硝苯地平?
The molecular formula of 硝苯地平 is C17H18N2O6.
What is the molecular weight of 硝苯地平?
The molecular weight of 硝苯地平 is 346.12 g/mol.
Where can I buy 硝苯地平?
You can request a quote for 硝苯地平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝苯地平?
Yes, KEHONG BIO provides custom synthesis services for 硝苯地平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.