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CAS 188721-64-4 4-AMino-3,5-dibroMophenol molecular structure lightbox
CAS RN: 188721-64-4

4-AMino-3,5-dibroMophenol

  • Product code: SSC-087859
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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 188721-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

188721-64-4 / 4-amino-3,5-dibromophenol

Standard CAS: 188721-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188721-64-4
Multi CAS
No
Molecular Formula
C6H5Br2NO
Molecular Weight
266.920000
Exact Mass
266.871740
SMILES
C1=C(C=C(C(=C1Br)N)Br)O
InChI
InChI=1S/C6H5Br2NO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,9H2
InChIKey
UJGIEAXELCZTOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.92
TPSA
46.25

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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