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CAS 887354-54-3 2,2-DIFLUORO-3-HYDROXY-(3-PYRIDYL)PROPIONIC ACID molecular structure lightbox
CAS RN: 887354-54-3

2,2-DIFLUORO-3-HYDROXY-(3-PYRIDYL)PROPIONIC ACID

  • Product code: SSC-200257
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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 887354-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

887354-54-3 / 2,2-difluoro-3-hydroxy-3-pyridin-3-ylpropanoic acid

Standard CAS: 887354-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887354-54-3
Multi CAS
No
Molecular Formula
C8F2H7NO3
Molecular Weight
203.140000
Exact Mass
203.039399
InChI
InChI=1S/C8H7F2NO3/c9-8(10,7(13)14)6(12)5-2-1-3-11-4-5/h1-4,6,12H,(H,13,14)
InChIKey
IUTDPIPPGFFXPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.78
TPSA
70.42

LogP / Solubility

WLOGP
0.83
MLOGP
0.74
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

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