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CAS 31140-74-6 3-Pyridinepropanoicacid,-alpha–amino-6-fluoro-(9CI) molecular structure lightbox
CAS RN: 31140-74-6

3-Pyridinepropanoicacid,-alpha–amino-6-fluoro-(9CI)

  • Product code: SSC-136410
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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 31140-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

31140-74-6 / 2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid

Standard CAS: 31140-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31140-74-6
Multi CAS
No
Molecular Formula
C8FH9N2O2
Molecular Weight
184.170000
Exact Mass
184.064806
InChI
InChI=1S/C8H9FN2O2/c9-7-2-1-5(4-11-7)3-6(10)8(12)13/h1-2,4,6H,3,10H2,(H,12,13)
InChIKey
PSPBMVIGHPBZQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.51
TPSA
76.21

LogP / Solubility

WLOGP
0.18
MLOGP
0.15
XLogP3
-2
Consensus LogP
-0.56
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.72

Drug-likeness / Medicinal Chemistry

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

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