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CAS 159989-65-8 Nelfinavir Mesylate molecular structure lightbox
CAS RN: 159989-65-8

Nelfinavir Mesylate

Product Availability

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14 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 100mg In stock Inquiry
Batchno.20250625 10mg In stock Inquiry
Batchno.20250703 250mg In stock Inquiry
Batchno.20260128 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100mg Out of stock Inquiry
Batchno.20251019 10mg In stock Inquiry
Batchno.20250714 250mg In stock Inquiry
Batchno.20260117 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 10mg In stock Shanghai Inquiry
Batchno.20250423 10mg / 50mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260221 1mg In stock Shanghai Inquiry
Batchno.20250916 250mg In stock Shanghai Inquiry
Batchno.20250716 50mg In stock Shanghai Inquiry
Batchno.20251116 5mg In stock Shanghai Inquiry
  • Product code: SSC-067976
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 159989-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

159989-65-8 / (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

Standard CAS: 159989-65-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
159989-65-8
Multi CAS
No
Molecular Formula
C33H49N3O7S2
Molecular Weight
663.900000
Exact Mass
663.301193
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
InChI
InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1
InChIKey
NQHXCOAXSHGTIA-SKXNDZRYSA-N

Physical Properties

Appearance
White to off-white amorphous powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
5
Molar refractivity
178.07
TPSA
156.27

LogP / Solubility

WLOGP
4.25
MLOGP
3.8
XLogP3
4.25
Consensus LogP
4.1
Log S (ESOL)
-6.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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