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CAS 31075-53-3 2,3,5-TRIIODOBENZYL ALCOHOL molecular structure lightbox
CAS RN: 31075-53-3

2,3,5-TRIIODOBENZYL ALCOHOL

  • Product code: SSC-136318
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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, 0.25g, 5g
  • Available purity: >95%
  • 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 31075-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

31075-53-3 / (2,3,5-triiodophenyl)methanol

Standard CAS: 31075-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31075-53-3
Multi CAS
No
Molecular Formula
C7H5I3O
Molecular Weight
485.830000
Exact Mass
485.747500
InChI
InChI=1S/C7H5I3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
InChIKey
KFZNKUWVRXKLJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.52
TPSA
20.23

LogP / Solubility

WLOGP
2.99
MLOGP
2.67
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.56

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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