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CAS 299166-66-8 AMINO-(3-FLUORO-4-METHOXY-PHENYL)-ACETIC ACID molecular structure lightbox
CAS RN: 299166-66-8

AMINO-(3-FLUORO-4-METHOXY-PHENYL)-ACETIC ACID

  • Product code: SSC-133278
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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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • 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 299166-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Beijing Inquiry

299166-66-8 / 2-amino-2-(3-fluoro-4-methoxyphenyl)acetic acid

Standard CAS: 299166-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
299166-66-8
Multi CAS
No
Molecular Formula
C9FH10NO3
Molecular Weight
199.180000
Exact Mass
199.064471
InChI
InChI=1S/C9H10FNO3/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChIKey
BPKLMQYFJHGPQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.52
TPSA
72.55

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
-1.6
Consensus LogP
0.04
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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