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CAS 73792-08-2 METHYL 4-AMINO-2-FLUOROBENZOATE molecular structure lightbox
CAS RN: 73792-08-2

METHYL 4-AMINO-2-FLUOROBENZOATE

  • Product code: SSC-183225
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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: 100g
  • 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 73792-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

73792-08-2 / methyl 4-amino-2-fluorobenzoate

Standard CAS: 73792-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73792-08-2
Multi CAS
No
Molecular Formula
C8FH8NO2
Molecular Weight
169.150000
Exact Mass
169.053907
InChI
InChI=1S/C8H8FNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3
InChIKey
BPAKMNNACPYTAY-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
3
H-bond donors
1
Molar refractivity
42.15
TPSA
52.32

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
2.2
Consensus LogP
1.48
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.9

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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