1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
TL;DR: 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone (CAS 34771-45-4) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
Also Known As: Maybridge1_001995, 1,1'-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone, KST-1B3411, BAS 00415411, Hantzsch 1,4-dihydropyridine ester analog
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 34771-45-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C |
| InChIKey | BNFZVEKTXGCTQQ-UHFFFAOYSA-N |
Product Overview
1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone (CAS 34771-45-4), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone.
Chemical Property Profile of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
Property Insights of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone. Following Lipinski's Rule of Five, 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone has 1 hydrogen bond donor(s) and 5 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 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone?
The CAS number of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone is 34771-45-4.
What is the molecular formula of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone?
The molecular formula of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone is C17H18N2O4.
What is the molecular weight of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone?
The molecular weight of 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone is 314.13 g/mol.
Where can I buy 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone?
You can request a quote for 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.