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CAS 749928-88-9 1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile molecular structure lightbox
CAS RN: 749928-88-9

1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile

  • Product code: SSC-184499
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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: 5g
  • Available purity: ＞97%
  • 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 749928-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

749928-88-9 / 1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile

Standard CAS: 749928-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
749928-88-9
Multi CAS
No
Molecular Formula
BC10H7NRf
Molecular Weight
240.070000
Exact Mass
238.974590
InChI
InChI=1S/C10H7BrFN/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4H2
InChIKey
FLVJVGSVWLFBRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.63
TPSA
23.79

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
2.7
Consensus LogP
2.87
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.95

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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