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CAS 353-25-3 8-fluorooctanoic acid molecular structure lightbox
CAS RN: 353-25-3

8-fluorooctanoic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS353-25-3
  • Purity/Analytical Methods: >99.0%
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353-25-3 / 8-fluorooctanoic acid

Standard CAS: 353-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
353-25-3
Multi CAS
No
Molecular Formula
C8FH15O2
Molecular Weight
162.200000
Exact Mass
162.105608
InChI
InChI=1S/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
InChIKey
SAEPUDOYZJDXEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.31
TPSA
37.3

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
0.9
Consensus LogP
1.79
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.02

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
1.5

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