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CAS 1243392-80-4 2-fluoro-4-hydroxy-N-methylbenzamide molecular structure lightbox
CAS RN: 1243392-80-4

2-fluoro-4-hydroxy-N-methylbenzamide

  • Product code: SSC-028263
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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 1243392-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1243392-80-4 / 2-fluoro-4-hydroxy-N-methylbenzamide

Standard CAS: 1243392-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243392-80-4
Multi CAS
No
Molecular Formula
C8H8FNO2
Molecular Weight
169.150000
Exact Mass
169.053907
SMILES
CNC(=O)C1=C(C=C(C=C1)O)F
InChI
InChI=1S/C8H8FNO2/c1-10-8(12)6-3-2-5(11)4-7(6)9/h2-4,11H,1H3,(H,10,12)
InChIKey
TVQDSLFVVSYIQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.46
TPSA
49.33

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.12

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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