IsoquinCON furanyl urethane analog
TL;DR: IsoquinCON furanyl urethane analog (CAS 145631-07-8) is a chemical compound with molecular formula C29H45N3O5 and molecular weight 515.33594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: IsoquinCON furanyl urethane analog, L 702157, L-702,157, [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate, 2-(3-(3-(S)-(((Tetrahydrofuranyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl))-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H45N3O5 |
| Molecular Weight | 515.33594 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 515.33594 Da |
| Heavy Atoms | 37 |
| Complexity | 750.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)O |
| InChIKey | RWJPHGJNZTXMGR-FBQZJRKBSA-N |
Chemical Property Profile of IsoquinCON furanyl urethane analog
Property Insights of IsoquinCON furanyl urethane analog
The XLogP value of 4.2 indicates that IsoquinCON furanyl urethane analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IsoquinCON furanyl urethane analog. Following Lipinski's Rule of Five, IsoquinCON furanyl urethane analog has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of IsoquinCON furanyl urethane analog?
The CAS number of IsoquinCON furanyl urethane analog is 145631-07-8.
What is the molecular formula of IsoquinCON furanyl urethane analog?
The molecular formula of IsoquinCON furanyl urethane analog is C29H45N3O5.
What is the molecular weight of IsoquinCON furanyl urethane analog?
The molecular weight of IsoquinCON furanyl urethane analog is 515.33594 g/mol.
Where can I buy IsoquinCON furanyl urethane analog?
You can request a quote for IsoquinCON furanyl urethane analog directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IsoquinCON furanyl urethane analog?
Yes, CoreyChem provides custom synthesis services for IsoquinCON furanyl urethane analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.