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CAS 886502-05-2 3-FLUORO-2-METHYLBENZAMIDE molecular structure lightbox
CAS RN: 886502-05-2

3-FLUORO-2-METHYLBENZAMIDE

  • Product code: SSC-200063
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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: 5g
  • 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 886502-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

886502-05-2 / 3-fluoro-2-methylbenzamide

Standard CAS: 886502-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886502-05-2
Multi CAS
No
Molecular Formula
C8FH8NO
Molecular Weight
153.150000
Exact Mass
153.058992
InChI
InChI=1S/C8H8FNO/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKey
YWOKYZJJNQBVFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.65
TPSA
43.09

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.78

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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