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CAS 395-05-1 3-FLUOROMANDELIC ACID molecular structure lightbox
CAS RN: 395-05-1

3-FLUOROMANDELIC ACID

  • Product code: SSC-147150
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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 395-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

395-05-1 / 2-(3-fluorophenyl)-2-hydroxyacetic acid

Standard CAS: 395-05-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
395-05-1
Multi CAS
Yes
Molecular Formula
C8FH7O3
Molecular Weight
170.140000
Exact Mass
170.037922
InChI
InChI=1S/C8H7FO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKey
HNUJOYMRHWMPOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39
TPSA
57.53

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-3.09

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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