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CAS 1346538-55-3 1-(6-Bromo-3-pyridyl)cyclopropanol molecular structure lightbox
CAS RN: 1346538-55-3

1-(6-Bromo-3-pyridyl)cyclopropanol

  • Product code: SSC-042514
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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, 5g
  • 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 1346538-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1346538-55-3 / 1-(6-bromo-3-pyridinyl)cyclopropan-1-ol

Standard CAS: 1346538-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346538-55-3
Multi CAS
No
Molecular Formula
C8H8BrNO
Molecular Weight
214.060000
Exact Mass
212.978930
SMILES
C1CC1(C2=CN=C(C=C2)Br)O
InChI
InChI=1S/C8H8BrNO/c9-7-2-1-6(5-10-7)8(11)3-4-8/h1-2,5,11H,3-4H2
InChIKey
FRSKOMIFJYRAHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.07
TPSA
33.12

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.3
Consensus LogP
1.58
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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