nelfinavir
TL;DR: nelfinavir (CAS 159989-64-7) is a chemical compound with molecular formula C32H45N3O4S and molecular weight 567.31305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: nelfinavir, Nelfinavir mesylate, Nelfinavir-d3, N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide, (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
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C32H45N3O4S |
| Molecular Weight | 567.31305 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 567.31305 Da |
| Heavy Atoms | 40 |
| Complexity | 829.0 |
| SMILES | CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O |
| InChIKey | QAGYKUNXZHXKMR-UHFFFAOYSA-N |
Chemical Property Profile of nelfinavir
Property Insights of nelfinavir
The XLogP value of 5.7 indicates that nelfinavir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for nelfinavir. Following Lipinski's Rule of Five, nelfinavir has 4 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 nelfinavir?
The CAS number of nelfinavir is 159989-64-7.
What is the molecular formula of nelfinavir?
The molecular formula of nelfinavir is C32H45N3O4S.
What is the molecular weight of nelfinavir?
The molecular weight of nelfinavir is 567.31305 g/mol.
Where can I buy nelfinavir?
You can request a quote for nelfinavir directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for nelfinavir?
Yes, CoreyChem provides custom synthesis services for nelfinavir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.