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CAS 380241-60-1 4-AMINO-2-FLUORO-5-IODOBENZONITRILE molecular structure lightbox
CAS RN: 380241-60-1

4-AMINO-2-FLUORO-5-IODOBENZONITRILE

  • Product code: SSC-145468
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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, 5g, 0.25g, 10g, 0.1g
  • Available purity: ≥95%
  • 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 380241-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
5g ≥95% 4 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

380241-60-1 / 4-amino-2-fluoro-5-iodobenzonitrile

Standard CAS: 380241-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380241-60-1
Multi CAS
No
Molecular Formula
C7FH4In2
Molecular Weight
262.020000
Exact Mass
261.940320
InChI
InChI=1S/C7H4FIN2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
InChIKey
WSDHSOHYAMHUIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.24
TPSA
49.81

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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