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CAS 14429-09-5 1,2,3,4-Tetrahydro-1,2-dimethylisoquinoline molecular structure lightbox
CAS RN: 14429-09-5

1,2,3,4-Tetrahydro-1,2-dimethylisoquinoline

  • Product code: SSC-055473
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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 14429-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

14429-09-5 / 1,2-dimethyl-3,4-dihydro-1H-isoquinoline

Standard CAS: 14429-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14429-09-5
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
SMILES
CC1C2=CC=CC=C2CCN1C
InChI
InChI=1S/C11H15N/c1-9-11-6-4-3-5-10(11)7-8-12(9)2/h3-6,9H,7-8H2,1-2H3
InChIKey
ANEGOXNGPXRGPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
Molar refractivity
51.19
TPSA
3.24

LogP / Solubility

WLOGP
2.24
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.12

Drug-likeness / Medicinal Chemistry

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

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