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CAS 20942-70-5 5-tert-butyl-2-iodophenol molecular structure lightbox
CAS RN: 20942-70-5

5-tert-butyl-2-iodophenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-099215
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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: >97%
  • 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 20942-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

20942-70-5 / 5-tert-butyl-2-iodophenol

Standard CAS: 20942-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20942-70-5
Multi CAS
No
Molecular Formula
C10H13IO
Molecular Weight
276.110000
Exact Mass
276.001110
SMILES
CC(C)(C)C1=CC(=C(C=C1)I)O
InChI
InChI=1S/C10H13IO/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,12H,1-3H3
InChIKey
COYVTCLXNSGLFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.52
TPSA
20.23

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
3.9
Consensus LogP
3.37
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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