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CAS 1909309-53-0 1-(5-Bromo-2-methoxyphenyl)cyclopropanamine Hydrochloride molecular structure lightbox
CAS RN: 1909309-53-0

1-(5-Bromo-2-methoxyphenyl)cyclopropanamine Hydrochloride

  • Product code: SSC-089391
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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 1909309-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1909309-53-0 / 1-(5-bromo-2-methoxyphenyl)cyclopropan-1-amine;hydrochloride

Standard CAS: 1909309-53-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1909309-53-0
Multi CAS
No
Molecular Formula
C10H13BrClNO
Molecular Weight
278.570000
Exact Mass
276.986900
SMILES
COC1=C(C=C(C=C1)Br)C2(CC2)N.Cl
InChI
InChI=1S/C10H12BrNO.ClH/c1-13-9-3-2-7(11)6-8(9)10(12)4-5-10;/h2-3,6H,4-5,12H2,1H3;1H
InChIKey
LWOCGSSXGJXDBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.04
TPSA
35.25

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
2.83
Consensus LogP
2.72
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

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