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CAS 84553-40-2 4-FLUOROBICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 84553-40-2

4-FLUOROBICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID

  • Product code: SSC-192077
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 84553-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

84553-40-2 / 4-fluorobicyclo[2.2.1]heptane-1-carboxylic acid

Standard CAS: 84553-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84553-40-2
Multi CAS
No
Molecular Formula
C8FH11O2
Molecular Weight
158.170000
Exact Mass
158.074308
InChI
InChI=1S/C8H11FO2/c9-8-3-1-7(5-8,2-4-8)6(10)11/h1-5H2,(H,10,11)
InChIKey
SCBFOJOUNIPAOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.99
TPSA
37.3

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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