RefChem:1066026
TL;DR: RefChem:1066026 (CAS 71160-16-2) 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.
diethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-(5-nitro-2-furanyl)-1,3-butadienyl)-, diethyl ester, diethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1066026, BRN 1185951
| Molecular Formula | C21H24N2O7 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 3.6508 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.15836 |
| Heavy Atoms | 30 |
| Complexity | 910.3111 |
Chemical Identifiers
| CAS Number | 71160-16-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1/C=C/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC)C)C |
Product Overview
RefChem:1066026 (CAS 71160-16-2), with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol. IUPAC: diethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1066026
Property Insights of RefChem:1066026
The XLogP value of 3.6508 indicates that RefChem:1066026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066026. Following Lipinski's Rule of Five, RefChem:1066026 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 RefChem:1066026?
The CAS number of RefChem:1066026 is 71160-16-2.
What is the molecular formula of RefChem:1066026?
The molecular formula of RefChem:1066026 is C21H24N2O7.
What is the molecular weight of RefChem:1066026?
The molecular weight of RefChem:1066026 is 416.16 g/mol.
Where can I buy RefChem:1066026?
You can request a quote for RefChem:1066026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066026?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.