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CAS 609783-45-1 Benzamide, 4-amino-2-fluoro- (9CI) molecular structure lightbox
CAS RN: 609783-45-1

Benzamide, 4-amino-2-fluoro- (9CI)

  • Product code: SSC-169663
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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 609783-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

609783-45-1 / 4-amino-2-fluorobenzamide

Standard CAS: 609783-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
609783-45-1
Multi CAS
No
Molecular Formula
C7FH7N2O
Molecular Weight
154.140000
Exact Mass
154.054241
InChI
InChI=1S/C7H7FN2O/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey
WIKPEQHEEAWUBH-UHFFFAOYSA-N

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
39.33
TPSA
69.11

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.3

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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