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CAS 32222-46-1 (R)-Hydroxy-(4-fluoro-phenyl)-acetic acid ethyl ester molecular structure lightbox
CAS RN: 32222-46-1

(R)-Hydroxy-(4-fluoro-phenyl)-acetic acid ethyl ester

  • Product code: SSC-137792
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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 32222-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

32222-46-1 / methyl (2R)-2-(4-fluorophenyl)-2-hydroxyacetate

Standard CAS: 32222-46-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32222-46-1
Multi CAS
Yes
Molecular Formula
C9FH9O3
Molecular Weight
184.160000
Exact Mass
184.053572
InChI
InChI=1S/C10H11FO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3
InChIKey
CNCGHQKCIUHNRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.38
TPSA
46.53

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.3
Consensus LogP
1.08
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.11

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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