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CAS 4619-74-3 2,4,6-TRIBROMO-3-METHYLPHENOL molecular structure lightbox
CAS RN: 4619-74-3

2,4,6-TRIBROMO-3-METHYLPHENOL

  • Product code: SSC-153723
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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 4619-74-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

4619-74-3 / 2,4,6-tribromo-3-methylphenol

Standard CAS: 4619-74-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4619-74-3
Multi CAS
Yes
Molecular Formula
C7H5BR3O
Molecular Weight
344.830000
Exact Mass
343.787000
InChI
InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
InChIKey
QKHROXOPRBWBDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.94
TPSA
20.23

LogP / Solubility

WLOGP
3.99
MLOGP
3.53
XLogP3
4
Consensus LogP
3.84
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

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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