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CAS 72678-15-0 1,5-DIMETHYLISOQUINOLINE molecular structure lightbox
CAS RN: 72678-15-0

1,5-DIMETHYLISOQUINOLINE

  • Product code: SSC-182169
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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: ＞97%
  • 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 72678-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

72678-15-0 / 1,5-dimethylisoquinoline

Standard CAS: 72678-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72678-15-0
Multi CAS
No
Molecular Formula
C11H11N
Molecular Weight
157.210000
Exact Mass
157.089149
InChI
InChI=1S/C11H11N/c1-8-4-3-5-11-9(2)12-7-6-10(8)11/h3-7H,1-2H3
InChIKey
YOBUQOYYKCZRQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
51.22
TPSA
12.89

LogP / Solubility

WLOGP
2.85
MLOGP
2.5
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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