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CAS 1372096-33-7 2,4-DibroMo-5-fluoropyriMidine molecular structure lightbox
CAS RN: 1372096-33-7

2,4-DibroMo-5-fluoropyriMidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-046665
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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: 25g
  • 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 1372096-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1372096-33-7 / 2,4-dibromo-5-fluoropyrimidine

Standard CAS: 1372096-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1372096-33-7
Multi CAS
No
Molecular Formula
C4HBr2FN2
Molecular Weight
255.870000
Exact Mass
255.847000
SMILES
C1=C(C(=NC(=N1)Br)Br)F
InChI
InChI=1S/C4HBr2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
InChIKey
VFKFQQXANPBQCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
37.39
TPSA
25.78

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
2.4
Consensus LogP
2.14
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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