(1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate
TL;DR: (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate (CAS 304013-28-3) is a chemical compound with molecular formula C22H21F3N4O4 and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate
Also Known As: (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate, propan-2-yl (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate
| Molecular Formula | C22H21F3N4O4 |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 1.72768 |
| Topological Polar Surface Area | 139.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1515 |
| Heavy Atoms | 33 |
| Complexity | 1105.5935 |
Chemical Identifiers
| CAS Number | 304013-28-3 |
|---|---|
| SMILES | CC(C)OC(=O)[C@H]1[C@@H]([C@@]([C@H]2N1C=C(C=C2)C(=O)N)(C#N)C(=O)N)C3=CC=CC=C3C(F)(F)F |
Product Overview
(1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate (CAS 304013-28-3), with molecular formula C22H21F3N4O4 and molecular weight 462.15 g/mol. IUPAC: propan-2-yl (1R,2R,3R,8aS)-1,6-dicarbamoyl-1-cyano-2-[2-(trifluoromethyl)phenyl]-3,8a-dihydro-2H-indolizine-3-carboxylate.
Chemical Property Profile of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate
Property Insights of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate
The XLogP value of 1.72768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate. The TPSA of 139.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate. Following Lipinski's Rule of Five, (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate?
The CAS number of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate is 304013-28-3.
What is the molecular formula of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate?
The molecular formula of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate is C22H21F3N4O4.
What is the molecular weight of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate?
The molecular weight of (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate is 462.15 g/mol.
Where can I buy (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate?
You can request a quote for (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R,3R,8aS)-isopropyl 1,6-dicarbamoyl-1-cyano-2-(2-(trifluoromethyl)phenyl)-1,2,3,8a-tetrahydroindolizine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.