RefChem:272117
TL;DR: RefChem:272117 (CAS 5181-36-2) is a chemical compound with molecular formula C21H22F3NO4 and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, ethyl 2-propenyl ester, 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl prop-2-en-1-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, Ethyl Prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:272117
| Molecular Formula | C21H22F3NO4 |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.1501 |
| Heavy Atoms | 29 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 5181-36-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC=C)C)C |
| InChIKey | GDVPABWYDPSARA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:272117 (CAS 5181-36-2), with molecular formula C21H22F3NO4 and molecular weight 409.15 g/mol. IUPAC: 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:272117
Property Insights of RefChem:272117
The XLogP value of 4.4 indicates that RefChem:272117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272117. Following Lipinski's Rule of Five, RefChem:272117 has 1 hydrogen bond donor(s) and 8 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 RefChem:272117?
The CAS number of RefChem:272117 is 5181-36-2.
What is the molecular formula of RefChem:272117?
The molecular formula of RefChem:272117 is C21H22F3NO4.
What is the molecular weight of RefChem:272117?
The molecular weight of RefChem:272117 is 409.15 g/mol.
Where can I buy RefChem:272117?
You can request a quote for RefChem:272117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272117?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.