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CAS 40145-08-2 3-BROMO-2-METHYLPROPAN-1-OL molecular structure lightbox
CAS RN: 40145-08-2

3-BROMO-2-METHYLPROPAN-1-OL

  • Product code: SSC-148134
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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, 5g, 0.25g, 0.1g, 10g
  • 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 40145-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

40145-08-2 / 3-bromo-2-methylpropan-1-ol

Standard CAS: 40145-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40145-08-2
Multi CAS
No
Molecular Formula
C4H9BRO
Molecular Weight
153.020000
Exact Mass
151.983680
InChI
InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3
InChIKey
KIBOHRIGZMLNNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.04
TPSA
20.23

LogP / Solubility

WLOGP
1.01
MLOGP
0.88
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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