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CAS 84102-89-6 Benzonitrile, 4-formyl-3-hydroxy- molecular structure lightbox
CAS RN: 84102-89-6

Benzonitrile, 4-formyl-3-hydroxy-

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251221 100mg In stock Inquiry
Batchno.20260320 1g In stock Inquiry
Batchno.20250808 250mg In stock Inquiry
  • Product code: SSC-191696
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 84102-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 2 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

84102-89-6 / 4-formyl-3-hydroxybenzonitrile

Standard CAS: 84102-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84102-89-6
Multi CAS
No
Molecular Formula
C8H5NO2
Molecular Weight
147.130000
Exact Mass
147.032028
InChI
InChI=1S/C8H5NO2/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3,5,11H
InChIKey
DZETWSGVBUVPMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.21
TPSA
61.09

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
1.3
Consensus LogP
1.11
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.85

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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