CAS RN: 129728-87-6
2-ACETAMIDO-2,4-DIDEOXY-4-FLUORO-ALPHA-D-GLUCOPYRANOSE
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.20260506 | 5mg / 10mg / 25mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS129728-87-6
- Purity/Analytical Methods: >99.0%
129728-87-6 / N-[(2S,3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Basic Information
CAS
129728-87-6
Multi CAS
No
Molecular Formula
C8H14FNO5
Molecular Weight
223.200000
Exact Mass
223.085601
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)F)O
InChI
InChI=1S/C8H14FNO5/c1-3(12)10-6-7(13)5(9)4(2-11)15-8(6)14/h4-8,11,13-14H,2H2,1H3,(H,10,12)/t4-,5-,6-,7+,8+/m1/s1
InChIKey
QAPRNMNSFDDVPY-YQXRAVKXSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
46.47
TPSA
99.02
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.85
XLogP3
-2.1
Consensus LogP
-2.02
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.13
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
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)
-5.57
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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