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CAS 948015-66-5 2-CYANO-3-(4-FLUOROPHENYL)PROPIONIC ACID molecular structure lightbox
CAS RN: 948015-66-5

2-CYANO-3-(4-FLUOROPHENYL)PROPIONIC ACID

  • Product code: SSC-210006
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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 948015-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

948015-66-5 / 2-cyano-3-(4-fluorophenyl)propanoic acid

Standard CAS: 948015-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
948015-66-5
Multi CAS
No
Molecular Formula
C10FH8NO2
Molecular Weight
193.170000
Exact Mass
193.053907
InChI
InChI=1S/C10H8FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKey
RUBULQHWAXSBOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.84
TPSA
61.09

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.77

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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