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CAS 174484-41-4 Tipranavir molecular structure lightbox
CAS RN: 174484-41-4

Tipranavir

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 100mg In stock Shanghai Inquiry
Batchno.20260101 10mg In stock Shanghai Inquiry
Batchno.20250517 250mg Out of stock Inquiry
Batchno.20250125 25mg In stock Shanghai Inquiry
Batchno.20251113 50mg In stock Shanghai Inquiry
Batchno.20260123 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS174484-41-4
  • Purity/Analytical Methods: >99.0%
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174484-41-4 / N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

Standard CAS: 174484-41-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
174484-41-4
Multi CAS
No
Molecular Formula
C31H33F3N2O5S
Molecular Weight
602.700000
Exact Mass
602.206228
SMILES
CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4
InChI
InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
InChIKey
SUJUHGSWHZTSEU-FYBSXPHGSA-N

Physical Properties

Melting Point
86-89 °C
Appearance
White solid from ethyl acetate + heptane
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
152.29
TPSA
105.59

LogP / Solubility

WLOGP
7.33
MLOGP
6.49
XLogP3
7
Consensus LogP
6.94
Log S (ESOL)
-7.78
Class (ESOL)
Insoluble
Log S (Ali)
-9.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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