CAS RN: 2089647-47-0
SGN-2FF
Product Availability
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11 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250416 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2089647-47-0
- Purity/Analytical Methods: >99.0%
2089647-47-0 / (3S,4R,5S,6S)-3-fluoro-6-methyloxane-2,4,5-triol
Basic Information
CAS
2089647-47-0
Multi CAS
No
Molecular Formula
C6H11FO4
Molecular Weight
166.150000
Exact Mass
166.064137
SMILES
C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)F)O)O
InChI
InChI=1S/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6?/m0/s1
InChIKey
IRKXGKIPOMIQOD-ZZWDRFIYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
33.46
TPSA
69.92
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.07
XLogP3
-1.1
Consensus LogP
-1.13
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.27
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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