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CAS 3391-10-4 4-Chloro-α-methylbenzyl Alcohol molecular structure lightbox
CAS RN: 3391-10-4

4-Chloro-α-methylbenzyl Alcohol

  • Product code: SSC-140103
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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: 25g, 5g, 10g, 100g, 1g
  • Available purity: ≥98%
  • 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 3391-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 3 In Stock Beijing Inquiry
10g ≥98% 2 In Stock Shanghai Inquiry
100g ≥98% 1 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

3391-10-4 / 1-(4-chlorophenyl)ethanol

Standard CAS: 3391-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3391-10-4
Multi CAS
Yes
Molecular Formula
C8H9CLO
Molecular Weight
156.610000
Exact Mass
156.034193
InChI
InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey
MVOSNPUNXINWAD-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
42.09
TPSA
20.23

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-1.98

Drug-likeness / Medicinal Chemistry

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

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