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CAS 1394933-63-1 5-fluoro-2-hydroxy-N,N-diisopropylbenzamide molecular structure lightbox
CAS RN: 1394933-63-1

5-fluoro-2-hydroxy-N,N-diisopropylbenzamide

  • Product code: SSC-050125
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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 1394933-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1394933-63-1 / 5-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide

Standard CAS: 1394933-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394933-63-1
Multi CAS
No
Molecular Formula
C13H18FNO2
Molecular Weight
239.290000
Exact Mass
239.132157
SMILES
CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)O
InChI
InChI=1S/C13H18FNO2/c1-8(2)15(9(3)4)13(17)11-7-10(14)5-6-12(11)16/h5-9,16H,1-4H3
InChIKey
BXZYSYIRBNFPMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.51
TPSA
40.54

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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