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CAS 202865-84-7 4-BROMO-3-IODOPHENOL molecular structure lightbox
CAS RN: 202865-84-7

4-BROMO-3-IODOPHENOL

  • Product code: SSC-095532
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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: ＞97%
  • 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 202865-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

202865-84-7 / 4-bromo-3-iodophenol

Standard CAS: 202865-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202865-84-7
Multi CAS
No
Molecular Formula
C6H4BrIO
Molecular Weight
298.900000
Exact Mass
297.849020
SMILES
C1=CC(=C(C=C1O)I)Br
InChI
InChI=1S/C6H4BrIO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey
AQERVRQXHVITFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.52
TPSA
20.23

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.58

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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