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CAS 191351-61-8 2-(2-Fluoro-phenyl)-propionic acid methyl ester molecular structure lightbox
CAS RN: 191351-61-8

2-(2-Fluoro-phenyl)-propionic acid methyl ester

  • Product code: SSC-089649
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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 191351-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

191351-61-8 / methyl 2-(2-fluorophenyl)propanoate

Standard CAS: 191351-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191351-61-8
Multi CAS
No
Molecular Formula
C10H11FO2
Molecular Weight
182.190000
Exact Mass
182.074308
SMILES
CC(C1=CC=CC=C1F)C(=O)OC
InChI
InChI=1S/C10H11FO2/c1-7(10(12)13-2)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKey
QHPHYPFHOJULJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.83
TPSA
26.3

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.34

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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