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CAS 79098-85-4 3-(piperidin-4-yl)indolin-2-one hydrochloride molecular structure lightbox
CAS RN: 79098-85-4

3-(piperidin-4-yl)indolin-2-one hydrochloride

  • Product code: SSC-188323
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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: 1g
  • 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 79098-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

79098-85-4 / 3-piperidin-4-yl-1,3-dihydroindol-2-one;hydrochloride

Standard CAS: 79098-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79098-85-4
Multi CAS
No
Molecular Formula
C13H17CLN2O
Molecular Weight
252.740000
Exact Mass
252.102941
InChI
InChI=1S/C13H16N2O.ClH/c16-13-12(9-5-7-14-8-6-9)10-3-1-2-4-11(10)15-13;/h1-4,9,12,14H,5-8H2,(H,15,16);1H
InChIKey
DEABHZRRJGJLKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.65
TPSA
41.13

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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