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CAS 1228994-69-1 1-(2-bromophenyl)cyclobutan-1-amine molecular structure lightbox
CAS RN: 1228994-69-1

1-(2-bromophenyl)cyclobutan-1-amine

  • Product code: SSC-026587
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1228994-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1228994-69-1 / 1-(2-bromophenyl)cyclobutan-1-amine

Standard CAS: 1228994-69-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228994-69-1
Multi CAS
No
Molecular Formula
C10H12BrN
Molecular Weight
226.110000
Exact Mass
225.015310
SMILES
C1CC(C1)(C2=CC=CC=C2Br)N
InChI
InChI=1S/C10H12BrN/c11-9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7,12H2
InChIKey
ODEDRBYIFZGIBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.86
TPSA
26.02

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.2
Consensus LogP
2.48
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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