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CAS 2432-03-3 4-Bromo-2,6-Diisopropylphenol molecular structure lightbox
CAS RN: 2432-03-3

4-Bromo-2,6-Diisopropylphenol

  • Product code: SSC-118529
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2432-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2432-03-3 / 4-bromo-2,6-di(propan-2-yl)phenol

Standard CAS: 2432-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2432-03-3
Multi CAS
No
Molecular Formula
C12H17BrO
Molecular Weight
257.170000
Exact Mass
256.046280
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)Br
InChI
InChI=1S/C12H17BrO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3
InChIKey
QNJVELOLCDKQBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.98
TPSA
20.23

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
4.5
Consensus LogP
4.26
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

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

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