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CAS 51649-35-5 2H-Isoindole,4,5,6,7-tetrahydro-(9CI) molecular structure lightbox
CAS RN: 51649-35-5

2H-Isoindole,4,5,6,7-tetrahydro-(9CI)

  • Product code: SSC-158583
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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: 0.25g
  • 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 51649-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

51649-35-5 / 4,5,6,7-tetrahydro-2H-isoindole

Standard CAS: 51649-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51649-35-5
Multi CAS
No
Molecular Formula
C8H11N
Molecular Weight
121.180000
Exact Mass
121.089149
InChI
InChI=1S/C8H11N/c1-2-4-8-6-9-5-7(8)3-1/h5-6,9H,1-4H2
InChIKey
JSHOAZBZHHEGHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond donors
1
Molar refractivity
37.43
TPSA
15.79

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.11

Drug-likeness / Medicinal Chemistry

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

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