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CAS 1782902-65-1 7-bromo-3,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine molecular structure lightbox
CAS RN: 1782902-65-1

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

  • Product code: SSC-078776
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.05g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1782902-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
0.05g >95% 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1782902-65-1 / 7-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-amine

Standard CAS: 1782902-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782902-65-1
Multi CAS
No
Molecular Formula
C12H16BrN
Molecular Weight
254.170000
Exact Mass
253.046610
SMILES
CC1(CC(C2=C(C1)C=CC(=C2)Br)N)C
InChI
InChI=1S/C12H16BrN/c1-12(2)6-8-3-4-9(13)5-10(8)11(14)7-12/h3-5,11H,6-7,14H2,1-2H3
InChIKey
LAXPGELAJMPFCM-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
63.17
TPSA
26.02

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.1
Consensus LogP
3.18
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
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)
-1.84

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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