Sulfone deriv. 26
TL;DR: Sulfone deriv. 26 (CAS 147977-19-3) is a chemical compound with molecular formula C30H47N3O6S and molecular weight 577.31854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R)-2-methyl-1,1-dioxothiolan-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: Sulfone deriv. 26, IsoquinCON thienyl urethane analog, Thienopyridine thienyl urethane deriv. 5, 2-(3-(3-(R)-(((2-cis-Methyl-1,1-dioxotetrahydrothienyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl))-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide, (2R,3R)-2-Methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
Technical Specifications
| Molecular Formula | C30H47N3O6S |
| Molecular Weight | 577.31854 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 577.31854 Da |
| Heavy Atoms | 40 |
| Complexity | 971.0 |
| SMILES | C[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O |
| InChIKey | ZWBLHWHBSYSDFK-XUJNKOSYSA-N |
Chemical Property Profile of Sulfone deriv. 26
Property Insights of Sulfone deriv. 26
The XLogP value of 4.2 indicates that Sulfone deriv. 26 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfone deriv. 26. Following Lipinski's Rule of Five, Sulfone deriv. 26 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 Sulfone deriv. 26?
The CAS number of Sulfone deriv. 26 is 147977-19-3.
What is the molecular formula of Sulfone deriv. 26?
The molecular formula of Sulfone deriv. 26 is C30H47N3O6S.
What is the molecular weight of Sulfone deriv. 26?
The molecular weight of Sulfone deriv. 26 is 577.31854 g/mol.
Where can I buy Sulfone deriv. 26?
You can request a quote for Sulfone deriv. 26 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfone deriv. 26?
Yes, CoreyChem provides custom synthesis services for Sulfone deriv. 26 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.