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CAS 187407-15-4 2,6-Dibromo-4-iodophenol molecular structure lightbox
CAS RN: 187407-15-4

2,6-Dibromo-4-iodophenol

  • Product code: SSC-087129
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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 187407-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

187407-15-4 / 2,6-dibromo-4-iodophenol

Standard CAS: 187407-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187407-15-4
Multi CAS
No
Molecular Formula
C6H3Br2IO
Molecular Weight
377.800000
Exact Mass
377.757490
SMILES
C1=C(C=C(C(=C1Br)O)Br)I
InChI
InChI=1S/C6H3Br2IO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey
VLHRYVNEXNNKNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.22
TPSA
20.23

LogP / Solubility

WLOGP
3.52
MLOGP
3.12
XLogP3
3.6
Consensus LogP
3.41
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-2.52

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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