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CAS 85355-50-6 Benzeneacetaldehyde, 2-bromo-6-nitro- molecular structure lightbox
CAS RN: 85355-50-6

Benzeneacetaldehyde, 2-bromo-6-nitro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-193704
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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 85355-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

85355-50-6 / 2-(2-bromo-6-nitrophenyl)acetaldehyde

Standard CAS: 85355-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85355-50-6
Multi CAS
No
Molecular Formula
BC8H6O3Rn
Molecular Weight
244.040000
Exact Mass
242.953110
InChI
InChI=1S/C8H6BrNO3/c9-7-2-1-3-8(10(12)13)6(7)4-5-11/h1-3,5H,4H2
InChIKey
OOKCQYFQNZMYAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
50.56
TPSA
60.21

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.72

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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