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CAS 5391-88-8 4-Bromo-α-methylbenzyl Alcohol molecular structure lightbox
CAS RN: 5391-88-8

4-Bromo-α-methylbenzyl Alcohol

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250315 100g In stock Inquiry
Batchno.20251228 10g In stock Inquiry
Batchno.20250923 1g In stock Inquiry
Batchno.20250410 250mg In stock Inquiry
Batchno.20250521 25g In stock Inquiry
Batchno.20260513 5g In stock Inquiry
  • Product code: SSC-161324
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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: 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • 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 5391-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 3 In Stock Shanghai Inquiry
5g ≥98% 3 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

5391-88-8 / 1-(4-bromophenyl)ethanol

Standard CAS: 5391-88-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5391-88-8
Multi CAS
Yes
Molecular Formula
C8H9BRO
Molecular Weight
201.060000
Exact Mass
199.983680
InChI
InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey
XTDTYSBVMBQIBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.78
TPSA
20.23

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.17

Drug-likeness / Medicinal Chemistry

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

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