RefChem:208330
TL;DR: RefChem:208330 (CAS 159878-05-4) is a chemical compound with molecular formula C24H39N3O2S and molecular weight 433.2763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aS,8aS)-2-[(2R,3R)-3-amino-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: (3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide, J1.575.441I, (3S,4aS,8aS)-2-((2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyl)-N-(tert-butyl)decahydroisoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, 2-[(2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-, (3S,4As,8aS)-2-[(2R,3R)-3-amino-2-hydroxy-4-phenylsulfanylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C24H39N3O2S |
| Molecular Weight | 433.2763 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.2763 Da |
| Heavy Atoms | 30 |
| Complexity | 547.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSC3=CC=CC=C3)N)O |
| InChIKey | FWGHKOLIXLOLBU-XRYRHKQGSA-N |
Chemical Property Profile of RefChem:208330
Property Insights of RefChem:208330
The XLogP value of 3.7 indicates that RefChem:208330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:208330. Following Lipinski's Rule of Five, RefChem:208330 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:208330?
The CAS number of RefChem:208330 is 159878-05-4.
What is the molecular formula of RefChem:208330?
The molecular formula of RefChem:208330 is C24H39N3O2S.
What is the molecular weight of RefChem:208330?
The molecular weight of RefChem:208330 is 433.2763 g/mol.
Where can I buy RefChem:208330?
You can request a quote for RefChem:208330 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:208330?
Yes, CoreyChem provides custom synthesis services for RefChem:208330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.