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CAS 318270-01-8 2-amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid molecular structure lightbox
CAS RN: 318270-01-8

2-amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid

  • Product code: SSC-137277
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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: 1g
  • 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 318270-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

318270-01-8 / 2-amino-2-(5-fluoro-2-hydroxyphenyl)acetic acid

Standard CAS: 318270-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
318270-01-8
Multi CAS
No
Molecular Formula
C8FH8NO3
Molecular Weight
185.150000
Exact Mass
185.048821
InChI
InChI=1S/C8H8FNO3/c9-4-1-2-6(11)5(3-4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKey
FAESPUPJJGMLKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.63
TPSA
83.55

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
-1.4
Consensus LogP
-0.08
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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