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CAS 106916-16-9 N-DESPROPYL ROPINIROLE molecular structure lightbox
CAS RN: 106916-16-9

N-DESPROPYL ROPINIROLE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008418
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 106916-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Beijing Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

106916-16-9 / 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one

4-(2-(Propylamino)ethyl)indolin-2-one | Monopropyl ropinirole | N-Despropyl-ropinirole

Standard CAS: 106916-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106916-16-9
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
SMILES
CCCNCCC1=C2CC(=O)NC2=CC=C1
InChI
InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
Synonyms
4-(2-(Propylamino)ethyl)indolin-2-one Monopropyl ropinirole N-Despropyl-ropinirole SKF-104557 K8562SXK3H

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.64
TPSA
41.13

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.51
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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