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CAS 1785259-87-1 5-Amino-2-fluoro-4-methoxy-benzoic acid methyl ester molecular structure lightbox
CAS RN: 1785259-87-1

5-Amino-2-fluoro-4-methoxy-benzoic acid methyl ester

  • Product code: SSC-079366
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1785259-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

1785259-87-1 / methyl 5-amino-2-fluoro-4-methoxybenzoate

Standard CAS: 1785259-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1785259-87-1
Multi CAS
No
Molecular Formula
C9H10FNO3
Molecular Weight
199.180000
Exact Mass
199.064471
SMILES
COC1=C(C=C(C(=C1)F)C(=O)OC)N
InChI
InChI=1S/C9H10FNO3/c1-13-8-4-6(10)5(3-7(8)11)9(12)14-2/h3-4H,11H2,1-2H3
InChIKey
XVFAPKGBFVJVHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.7
TPSA
61.55

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.08

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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