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CAS 2408957-56-0 1-Amino-5-bromo-2,2-dimethylindane molecular structure lightbox
CAS RN: 2408957-56-0

1-Amino-5-bromo-2,2-dimethylindane

  • Product code: SSC-117335
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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, 1g, 5g, 10g
  • 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 2408957-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

2408957-56-0 / 5-bromo-2,2-dimethyl-1,3-dihydroinden-1-amine

Standard CAS: 2408957-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2408957-56-0
Multi CAS
No
Molecular Formula
C11H14BrN
Molecular Weight
240.140000
Exact Mass
239.030960
SMILES
CC1(CC2=C(C1N)C=CC(=C2)Br)C
InChI
InChI=1S/C11H14BrN/c1-11(2)6-7-5-8(12)3-4-9(7)10(11)13/h3-5,10H,6,13H2,1-2H3
InChIKey
XKCJHQVXVWDKME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.56
TPSA
26.02

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.7
Consensus LogP
2.8
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.03

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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