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CAS 405-04-9 3-Fluoro-4-hydroxybenzonitrile molecular structure lightbox
CAS RN: 405-04-9

3-Fluoro-4-hydroxybenzonitrile

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260129 100g Out of stock Inquiry
Batchno.20260203 1g In stock Inquiry
Batchno.20250218 250mg In stock Inquiry
Batchno.20250419 25g Out of stock Inquiry
Batchno.20260524 5g Out of stock Inquiry
  • Product code: SSC-148687
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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: 10g, 25g, 5g, 100g, 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 405-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
5g ≥98% 4 In Stock Beijing Inquiry
100g ≥98% 4 In Stock Hong Kong Inquiry
1g ≥98% 2 In Stock Shanghai Inquiry

405-04-9 / 2-fluoro-4-hydroxybenzonitrile

Standard CAS: 405-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
405-04-9
Multi CAS
Yes
Molecular Formula
C7FH4NO
Molecular Weight
137.110000
Exact Mass
137.027692
InChI
InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey
REIVHYDACHXPNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.78
TPSA
44.02

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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