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CAS 91374-21-9 Ropinirole molecular structure lightbox
CAS RN: 91374-21-9

Ropinirole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS91374-21-9
  • Purity/Analytical Methods: >99.0%
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91374-21-9 / 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one

Standard CAS: 91374-21-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
91374-21-9
Multi CAS
Yes
Molecular Formula
C16H24N2O
Molecular Weight
260.370000
Exact Mass
260.188863
InChI
InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChIKey
UHSKFQJFRQCDBE-UHFFFAOYSA-N

Physical Properties

Melting Point
243-250 °C 243 - 250 °C
Boiling Point
410.5±45.0 °C at 760 mmHg
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.5
TPSA
32.34

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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