3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester (CAS 133147-08-7) is a chemical compound with molecular formula C23H31N3O6 and molecular weight 445.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester, 2-methylpropyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2,6-Dimethyl-4-(3-nitrophenyl)-5-[(butoxyamino)carbonyl]-1,4-dihydropyridine-3-carboxylic acid 2-methylpropyl ester, N-Butoxy-2,6-dimethyl-5-[(2-methylpropoxy)carbonyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboximidic acid, BRN 4277666
| Molecular Formula | C23H31N3O6 |
|---|---|
| Molecular Weight | 445.22 g/mol |
| LogP | 3.8767 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.22128 |
| Heavy Atoms | 32 |
| Complexity | 935.41437 |
Chemical Identifiers
| CAS Number | 133147-08-7 |
|---|---|
| SMILES | CCCCONC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C)C)C |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester (CAS 133147-08-7), with molecular formula C23H31N3O6 and molecular weight 445.22 g/mol. IUPAC: 2-methylpropyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
The XLogP value of 3.8767 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester has 2 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 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester is 133147-08-7.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester is C23H31N3O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester is 445.22 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.