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CAS 86505-94-4 METHYL 2-AMINO-6-FLUOROBENZOATE molecular structure lightbox
CAS RN: 86505-94-4

METHYL 2-AMINO-6-FLUOROBENZOATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 1g / 5g / 10g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-195629
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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 86505-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

86505-94-4 / methyl 2-amino-6-fluorobenzoate

Standard CAS: 86505-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86505-94-4
Multi CAS
No
Molecular Formula
C8FH8NO2
Molecular Weight
169.150000
Exact Mass
169.053907
InChI
InChI=1S/C8H8FNO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,10H2,1H3
InChIKey
VKJYAPKCOSGXAD-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
1.7
Consensus LogP
1.31
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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