4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester
TL;DR: 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester (CAS 75530-94-8) is a chemical compound with molecular formula C21H26N2O8 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-propan-2-yl 2-(dimethoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester, J1.205.764D, 3-O-methyl 5-O-propan-2-yl 2-(dimethoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-(Dimethoxymethyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-Methyl 5-(1-Methylethyl) Ester, 2-(Dimethoxymethyl)-4-(3-nitrophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-methyl 5-isopropyl ester
| Molecular Formula | C21H26N2O8 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 2.5532 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.1689 |
| Heavy Atoms | 31 |
| Complexity | 931.0624 |
Chemical Identifiers
| CAS Number | 75530-94-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C(OC)OC)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C |
Product Overview
4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester (CAS 75530-94-8), with molecular formula C21H26N2O8 and molecular weight 434.17 g/mol. IUPAC: 3-O-methyl 5-O-propan-2-yl 2-(dimethoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester
Property Insights of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester
The XLogP value of 2.5532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester. The TPSA of 126.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester. Following Lipinski's Rule of Five, 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester has 1 hydrogen bond donor(s) and 9 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 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester?
The CAS number of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester is 75530-94-8.
What is the molecular formula of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester?
The molecular formula of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester is C21H26N2O8.
What is the molecular weight of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester?
The molecular weight of 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester is 434.17 g/mol.
Where can I buy 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester?
You can request a quote for 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Nitrophenyl)-2-dimethoxymethyl-1,4-dihydropyridine-3,5-dicarboxylic Acid 5-Isopropyl Ester 3-Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.