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CAS 28177-74-4 Benzonitrile, 3-fluoro-2-hydroxy- molecular structure lightbox
CAS RN: 28177-74-4

Benzonitrile, 3-fluoro-2-hydroxy-

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250401 1g In stock Inquiry
Batchno.20250818 250mg In stock Inquiry
Batchno.20250430 5g In stock Inquiry
  • Product code: SSC-128942
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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, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 28177-74-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
0.1g ≥98% 2 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

28177-74-4 / 1-fluoro-2-isocyanatobenzene

Standard CAS: 28177-74-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28177-74-4
Multi CAS
Yes
Molecular Formula
C7FH4NO
Molecular Weight
137.110000
Exact Mass
137.027692
InChI
InChI=1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey
VZNCSZQPNIEEMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.18
TPSA
29.43

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
2.8
Consensus LogP
2.05
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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