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CAS 1202402-53-6 2-[6-(bromomethyl)pyridin-2-yl]propan-2-ol molecular structure lightbox
CAS RN: 1202402-53-6

2-[6-(bromomethyl)pyridin-2-yl]propan-2-ol

  • Product code: SSC-021097
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1202402-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1202402-53-6 / 2-[6-(bromomethyl)-2-pyridinyl]propan-2-ol

2-(6-(Bromomethyl)pyridin-2-yl)propan-2-ol | 2-[6-(Bromomethyl)-2-pyridyl]-2-propanol | 2-[6-(bromomethyl)pyridin-2-yl]propan-2-ol

Standard CAS: 1202402-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202402-53-6
Multi CAS
No
Molecular Formula
C9H12BrNO
Molecular Weight
230.100000
Exact Mass
229.010230
SMILES
CC(C)(C1=CC=CC(=N1)CBr)O
InChI
InChI=1S/C9H12BrNO/c1-9(2,12)8-5-3-4-7(6-10)11-8/h3-5,12H,6H2,1-2H3
InChIKey
QWNXNHDKTIUGQB-UHFFFAOYSA-N
Synonyms
2-(6-(Bromomethyl)pyridin-2-yl)propan-2-ol 2-[6-(Bromomethyl)-2-pyridyl]-2-propanol 2-[6-(bromomethyl)pyridin-2-yl]propan-2-ol MFCD22418400 2-[6-(bromomethyl)-2-pyridyl]propan-2-ol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.11
TPSA
33.12

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.2
Consensus LogP
1.78
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.56

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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