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CAS 1306604-68-1 2-(4-Bromo-phenyl)-cyclopropylamine hydrochloride molecular structure lightbox
CAS RN: 1306604-68-1

2-(4-Bromo-phenyl)-cyclopropylamine hydrochloride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100mg In stock Shanghai Inquiry
Batchno.20251205 1g In stock Shanghai Inquiry
Batchno.20250926 250mg In stock Shanghai Inquiry
  • Product code: SSC-037247
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1306604-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

1306604-68-1 / 2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride

Standard CAS: 1306604-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1306604-68-1
Multi CAS
No
Molecular Formula
C9H11BrClN
Molecular Weight
248.550000
Exact Mass
246.976340
SMILES
C1C(C1N)C2=CC=C(C=C2)Br.Cl
InChI
InChI=1S/C9H10BrN.ClH/c10-7-3-1-6(2-4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H
InChIKey
XQXNVLZRIWWINX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.72
TPSA
26.02

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.69
Consensus LogP
2.58
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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