3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
TL;DR: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester (CAS 133147-19-0) is a chemical compound with molecular formula C22H27N3O6 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[cyclopentyloxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester, Methyl 5-[(cyclopentyloxy)(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, 2,6-Dimethyl-4-(3-nitrophenyl)-5-[[methyl(cyclopentyloxy)amino]carbonyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester, methyl 5-[cyclopentyloxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, BRN 4277878
| Molecular Formula | C22H27N3O6 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 3.3352 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.18997 |
| Heavy Atoms | 31 |
| Complexity | 961.74786 |
Chemical Identifiers
| CAS Number | 133147-19-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)OC3CCCC3 |
Product Overview
3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester (CAS 133147-19-0), with molecular formula C22H27N3O6 and molecular weight 429.19 g/mol. IUPAC: methyl 5-[cyclopentyloxy(methyl)carbamoyl]-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-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
Property Insights of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
The XLogP value of 3.3352 indicates that 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester 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 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is 133147-19-0.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is C22H27N3O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester is 429.19 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl 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-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.