L 739594
TL;DR: L 739594 (CAS 156879-13-9) is a chemical compound with molecular formula C31H47N3O6 and molecular weight 557.3465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-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: L-739594, Ro 31-8959-bis-Thf deriv., L 739594, Isoquinoline furanyl urethane analog. 3, L-739,594
Technical Specifications
| Molecular Formula | C31H47N3O6 |
| Molecular Weight | 557.3465 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 557.3465 Da |
| Heavy Atoms | 40 |
| Complexity | 858.0 |
| 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]4CO[C@@H]5[C@H]4CCO5)O |
| InChIKey | LQBLSQUSWJJCSP-UZIBIQIJSA-N |
Chemical Property Profile of L 739594
Property Insights of L 739594
The XLogP value of 4.2 indicates that L 739594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L 739594. Following Lipinski's Rule of Five, L 739594 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of L 739594?
The CAS number of L 739594 is 156879-13-9.
What is the molecular formula of L 739594?
The molecular formula of L 739594 is C31H47N3O6.
What is the molecular weight of L 739594?
The molecular weight of L 739594 is 557.3465 g/mol.
Where can I buy L 739594?
You can request a quote for L 739594 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for L 739594?
Yes, CoreyChem provides custom synthesis services for L 739594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.