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CAS 1342144-24-4 2-(3-Bromophenyl)-4-pentyn-2-ol molecular structure lightbox
CAS RN: 1342144-24-4

2-(3-Bromophenyl)-4-pentyn-2-ol

  • Product code: SSC-041661
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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: 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 1342144-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

1342144-24-4 / 2-(3-bromophenyl)pent-4-yn-2-ol

Standard CAS: 1342144-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1342144-24-4
Multi CAS
No
Molecular Formula
C11H11BrO
Molecular Weight
239.110000
Exact Mass
237.999330
SMILES
CC(CC#C)(C1=CC(=CC=C1)Br)O
InChI
InChI=1S/C11H11BrO/c1-3-7-11(2,13)9-5-4-6-10(12)8-9/h1,4-6,8,13H,7H2,2H3
InChIKey
CTSKPUMKMYFJKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.16
TPSA
20.23

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.5
Consensus LogP
2.51
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.28

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
2

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