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CAS 1784868-32-1 7-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine molecular structure lightbox
CAS RN: 1784868-32-1

7-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

  • Product code: SSC-079252
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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 1784868-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1784868-32-1 / 7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

Standard CAS: 1784868-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1784868-32-1
Multi CAS
No
Molecular Formula
C12H16BrN
Molecular Weight
254.170000
Exact Mass
253.046610
SMILES
CC1(CCC(C2=C1C=CC(=C2)Br)N)C
InChI
InChI=1S/C12H16BrN/c1-12(2)6-5-11(14)9-7-8(13)3-4-10(9)12/h3-4,7,11H,5-6,14H2,1-2H3
InChIKey
DALZLKLFWGJOQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.33
TPSA
26.02

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
3.1
Consensus LogP
3.24
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-1.77

Drug-likeness / Medicinal Chemistry

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

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