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CAS 362665-57-4 Tiprolisant oxalate molecular structure lightbox
CAS RN: 362665-57-4

Tiprolisant oxalate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250615 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS362665-57-4
  • Purity/Analytical Methods: >99.0%
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362665-57-4 / 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;oxalic acid

Standard CAS: 362665-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
362665-57-4
Multi CAS
No
Molecular Formula
C19H28CLNO5
Molecular Weight
385.900000
Exact Mass
385.165601
InChI
InChI=1S/C17H26ClNO.C2H2O4/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;3-1(4)2(5)6/h7-10H,1-6,11-15H2;(H,3,4)(H,5,6)
InChIKey
OZTKSXOIWBLDBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.77
TPSA
87.07

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
3.32
Consensus LogP
3.19
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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