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CAS 915087-24-0 2-FLUORO-N-METHYL-4-NITROBENZAMIDE molecular structure lightbox
CAS RN: 915087-24-0

2-FLUORO-N-METHYL-4-NITROBENZAMIDE

  • Product code: SSC-204711
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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: ≥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 915087-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

915087-24-0 / 2-fluoro-N-methyl-4-nitrobenzamide

Standard CAS: 915087-24-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915087-24-0
Multi CAS
Yes
Molecular Formula
C8FH7N2O3
Molecular Weight
198.150000
Exact Mass
198.044070
InChI
InChI=1S/C8H7FN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)
InChIKey
CWGRZEVFBBAKCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.44
TPSA
72.24

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
1.1
Consensus LogP
1.05
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.15

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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