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CAS 874784-10-8 5-(3-BROMO-4-FLUORO-PHENYL)-2H-TETRAZOLE molecular structure lightbox
CAS RN: 874784-10-8

5-(3-BROMO-4-FLUORO-PHENYL)-2H-TETRAZOLE

  • Product code: SSC-197489
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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, 5g
  • 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 874784-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

874784-10-8 / 5-(3-bromo-4-fluorophenyl)-2H-tetrazole

Standard CAS: 874784-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874784-10-8
Multi CAS
Yes
Molecular Formula
BC7H4N4Rf
Molecular Weight
243.040000
Exact Mass
241.960340
InChI
InChI=1S/C7H4BrFN4/c8-5-3-4(1-2-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKey
PTGKEXZJIQANKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.27
TPSA
54.46

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

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

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