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CAS 388091-38-1 Benzonitrile, 5-amino-2-fluoro-4-hydroxy- (9CI) molecular structure lightbox
CAS RN: 388091-38-1

Benzonitrile, 5-amino-2-fluoro-4-hydroxy- (9CI)

  • Product code: SSC-146428
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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: 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 388091-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

388091-38-1 / 5-amino-2-fluoro-4-hydroxybenzonitrile

Standard CAS: 388091-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
388091-38-1
Multi CAS
No
Molecular Formula
C7FH5N2O
Molecular Weight
152.130000
Exact Mass
152.038591
InChI
InChI=1S/C7H5FN2O/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2,11H,10H2
InChIKey
HCWFDMJNYDNDOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.19
TPSA
70.04

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-2.95

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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