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CAS 90663-31-3 4-amino-3-fluoro-N-methylbenzamide molecular structure lightbox
CAS RN: 90663-31-3

4-amino-3-fluoro-N-methylbenzamide

  • Product code: SSC-203221
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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 90663-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

90663-31-3 / 4-amino-3-fluoro-N-methylbenzamide

Standard CAS: 90663-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90663-31-3
Multi CAS
No
Molecular Formula
C8FH9N2O
Molecular Weight
168.170000
Exact Mass
168.069891
InChI
InChI=1S/C8H9FN2O/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKey
WZBSQFIZISUXHQ-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
44.2
TPSA
55.12

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.2

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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