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CAS 305800-60-6 2-(5-bromo-2-fluorophenyl)acetonitrile molecular structure lightbox
CAS RN: 305800-60-6

2-(5-bromo-2-fluorophenyl)acetonitrile

  • Product code: SSC-135287
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 25g, 5g
  • Available purity: >96%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 305800-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 3 In Stock Hong Kong Inquiry
10g >96% 2 In Stock Hong Kong Inquiry
25g >96% 2 In Stock Shanghai Inquiry
5g >96% 1 In Stock Beijing Inquiry

305800-60-6 / 2-(5-bromo-2-fluorophenyl)acetonitrile

Standard CAS: 305800-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
305800-60-6
Multi CAS
No
Molecular Formula
BC8H5NRf
Molecular Weight
214.030000
Exact Mass
212.958940
InChI
InChI=1S/C8H5BrFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2
InChIKey
CVMIQENCTVIYOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.42
TPSA
23.79

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.14

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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