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CAS 57455-06-8 3-Iodobenzyl Alcohol molecular structure lightbox
CAS RN: 57455-06-8

3-Iodobenzyl Alcohol

  • Product code: SSC-165611
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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
  • 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 57455-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 3 In Stock Beijing Inquiry
5g ≥98% 3 In Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

57455-06-8 / (3-iodophenyl)methanol

Standard CAS: 57455-06-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57455-06-8
Multi CAS
Yes
Molecular Formula
C7H7IO
Molecular Weight
234.030000
Exact Mass
233.954160
InChI
InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey
QGCCNWSXJHGUNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.08
TPSA
20.23

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
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)
-2.88

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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