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CAS 191930-42-4 METHYL 2-AMINO-3-(2-FLUOROPHENYL)PROPANOATE molecular structure lightbox
CAS RN: 191930-42-4

METHYL 2-AMINO-3-(2-FLUOROPHENYL)PROPANOATE

  • Product code: SSC-089874
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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 191930-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

191930-42-4 / methyl 2-amino-3-(2-fluorophenyl)propanoate

Standard CAS: 191930-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191930-42-4
Multi CAS
No
Molecular Formula
C10H12FNO2
Molecular Weight
197.210000
Exact Mass
197.085207
SMILES
COC(=O)C(CC1=CC=CC=C1F)N
InChI
InChI=1S/C10H12FNO2/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11/h2-5,9H,6,12H2,1H3
InChIKey
LLMPNHTUKJJNQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.1
TPSA
52.32

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
1.3
Consensus LogP
0.98
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.31

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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