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CAS 1133122-96-9 2-fluoro-4-hydroxybenzamide molecular structure lightbox
CAS RN: 1133122-96-9

2-fluoro-4-hydroxybenzamide

  • Product code: SSC-013476
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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: ＞97%
  • 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 1133122-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1133122-96-9 / 2-fluoro-4-hydroxybenzamide

2-FLUORO-4-HYDROXYBENZAMIDE | MFCD09999525 | 2-Fluoro-4-hydroxy-benzamide

Standard CAS: 1133122-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1133122-96-9
Multi CAS
No
Molecular Formula
C7H6FNO2
Molecular Weight
155.130000
Exact Mass
155.038257
SMILES
C1=CC(=C(C=C1O)F)C(=O)N
InChI
InChI=1S/C7H6FNO2/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3,10H,(H2,9,11)
InChIKey
ZOGOWOQZTFRRHO-UHFFFAOYSA-N
Synonyms
2-FLUORO-4-HYDROXYBENZAMIDE MFCD09999525 2-Fluoro-4-hydroxy-benzamide SCHEMBL1055849 SCHEMBL3810726

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.58
TPSA
63.32

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.9
Consensus LogP
0.69
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.22

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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