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CAS 58633-04-8 4-Amino-3,5-dibromobenzonitrile molecular structure lightbox
CAS RN: 58633-04-8

4-Amino-3,5-dibromobenzonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-166921
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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: 100g
  • 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 58633-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

58633-04-8 / 4-amino-3,5-dibromobenzonitrile

Standard CAS: 58633-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58633-04-8
Multi CAS
No
Molecular Formula
C7H4BR2N2
Molecular Weight
275.930000
Exact Mass
275.872070
InChI
InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKey
UWIGJWZPRNWPBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.97
TPSA
49.81

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.3
Consensus LogP
2.44
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.51

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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