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CAS 43163-94-6 3-FLUORO-DL-VALINE molecular structure lightbox
CAS RN: 43163-94-6

3-FLUORO-DL-VALINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS43163-94-6
  • Purity/Analytical Methods: >99.0%
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43163-94-6 / 2-amino-3-fluoro-3-methylbutanoic acid

Standard CAS: 43163-94-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
43163-94-6
Multi CAS
Yes
Molecular Formula
C5FH10NO2
Molecular Weight
135.140000
Exact Mass
135.069557
InChI
InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)
InChIKey
ZFUKCHCGMBNYHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.8
TPSA
63.32

LogP / Solubility

WLOGP
0.15
MLOGP
0.12
XLogP3
-1.7
Consensus LogP
-0.48
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.44

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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