奈非那韦
TL;DR: 奈非那韦 (CAS 159989-64-7) is a chemical compound with molecular formula C32H45N3O4S and molecular weight 567.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奈非那韦
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
| Molecular Formula | C32H45N3O4S |
|---|---|
| Molecular Weight | 567.31 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 567.31305 |
| Heavy Atoms | 40 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 159989-64-7 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奈非那韦 (CAS 159989-64-7), with molecular formula C32H45N3O4S and molecular weight 567.31 g/mol. IUPAC: 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.
Chemical Property Profile of 奈非那韦
Property Insights of 奈非那韦
The XLogP value of 5.7 indicates that 奈非那韋 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 奈非那韦. Following Lipinski's Rule of Five, 奈非那韋 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 奈非那韋?
The CAS number of 奈非那韋 is 159989-64-7.
What is the molecular formula of 奈非那韋?
The molecular formula of 奈非那韋 is C32H45N3O4S.
What is the molecular weight of 奈非那韋?
The molecular weight of 奈非那韋 is 567.31 g/mol.
Where can I buy 奈非那韋?
You can request a quote for 奈非那韋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奈非那韋?
Yes, KEHONG BIO provides custom synthesis services for 奈非那韋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.