CAS RN: 93111-26-3
4-FLUOROBENZYL-2,3,5,6-D4 ALCOHOL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250616 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS93111-26-3
- Purity/Analytical Methods: >99.0%
93111-26-3 / (4-fluorophenyl)methanol
Basic Information
CAS
93111-26-3
Multi CAS
Yes
Molecular Formula
C7FH7O
Molecular Weight
126.130000
Exact Mass
126.048093
InChI
InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2/i1D,2D,3D,4D
InChIKey
GEZMEIHVFSWOCA-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.32
TPSA
20.23
LogP / Solubility
WLOGP
1.32
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 93129-94-3 (1R,3S)-5-[2-[(1R,3aR,7aS)-1-[(2R,5S)-5-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93129-94-3.gif)