3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester (CAS 59880-28-3) is a chemical compound with molecular formula C22H24F3NO4 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-propan-2-yl 3-O-prop-2-enyl 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester, 5-O-propan-2-yl 3-O-prop-2-enyl 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, Propan-2-yl prop-2-en-1-yl 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:272122
| Molecular Formula | C22H24F3NO4 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 4.621 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.16574 |
| Heavy Atoms | 30 |
| Complexity | 913.2029 |
Chemical Identifiers
| CAS Number | 59880-28-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)C(F)(F)F)C(=O)OCC=C |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester (CAS 59880-28-3), with molecular formula C22H24F3NO4 and molecular weight 423.17 g/mol. IUPAC: 5-O-propan-2-yl 3-O-prop-2-enyl 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester
The XLogP value of 4.621 indicates that 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester is 59880-28-3.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester is C22H24F3NO4.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester is 423.17 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-(trifluoromethyl)phenyl)-, 1-methylethyl 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.