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CAS 1427439-38-0 — molecular structure lightbox
CAS RN: 1427439-38-0

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Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-053880
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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 1427439-38-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1427439-38-0 / 4-bromo-3-chloro-5-fluorobenzonitrile

Standard CAS: 1427439-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427439-38-0
Multi CAS
No
Molecular Formula
C7H2BrClFN
Molecular Weight
234.450000
Exact Mass
232.904320
SMILES
C1=C(C=C(C(=C1F)Br)Cl)C#N
InChI
InChI=1S/C7H2BrClFN/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2H
InChIKey
GYSVMEBLBGRYCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
43.83
TPSA
23.79

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-1.94

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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