Nelfinavir Mesylate
TL;DR: Nelfinavir Mesylate (CAS 159989-65-8) is a chemical compound with molecular formula C33H49N3O7S2 and molecular weight 663.3012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid
Also Known As: Nelfinavir mesylate, Viracept, Nelfinavir mesilate, nelfinavir, Nelfin
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C33H49N3O7S2 |
| Molecular Weight | 663.3012 g/mol |
| XLogP | 4.25 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 663.3012 Da |
| Heavy Atoms | 45 |
| Complexity | 922.0 |
| Solubility | In water, 4,500 mg/L at 25 °C |
| SMILES | CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O |
| InChIKey | NQHXCOAXSHGTIA-SKXNDZRYSA-N |
Chemical Property Profile of Nelfinavir Mesylate
Property Insights of Nelfinavir Mesylate
The XLogP value of 4.25 indicates that Nelfinavir Mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting Nelfinavir Mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nelfinavir Mesylate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nelfinavir Mesylate?
The CAS number of Nelfinavir Mesylate is 159989-65-8.
What is the molecular formula of Nelfinavir Mesylate?
The molecular formula of Nelfinavir Mesylate is C33H49N3O7S2.
What is the molecular weight of Nelfinavir Mesylate?
The molecular weight of Nelfinavir Mesylate is 663.3012 g/mol.
Where can I buy Nelfinavir Mesylate?
You can request a quote for Nelfinavir Mesylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nelfinavir Mesylate?
Yes, CoreyChem provides custom synthesis services for Nelfinavir Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.