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CAS 116423-58-6 2-AMINO-5-HYDROXY-BENZONITRILE molecular structure lightbox
CAS RN: 116423-58-6

2-AMINO-5-HYDROXY-BENZONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016465
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116423-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

116423-58-6 / 2-amino-5-hydroxybenzonitrile

2-Amino-5-hydroxybenzonitrile | 2-AMINO-5-HYDROXY-BENZONITRILE | Benzonitrile, 2-amino-5-hydroxy-

Standard CAS: 116423-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116423-58-6
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
C1=CC(=C(C=C1O)C#N)N
InChI
InChI=1S/C7H6N2O/c8-4-5-3-6(10)1-2-7(5)9/h1-3,10H,9H2
InChIKey
FCZQCSIAXHUORC-UHFFFAOYSA-N
Synonyms
2-Amino-5-hydroxybenzonitrile 2-AMINO-5-HYDROXY-BENZONITRILE Benzonitrile, 2-amino-5-hydroxy- MFCD06657035 SCHEMBL10713640

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.23
TPSA
70.04

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
1.2
Consensus LogP
0.93
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.94

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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