CAS RN: 14685-79-1
2-CHLORO-2-DEOXY-D-GLUCOSE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 10mg | In stock | Hebei | Inquiry |
- Product code: starshine_CAS14685-79-1
- Purity/Analytical Methods: >99.0%
14685-79-1 / (2R,3S,4R,5R)-2-chloro-3,4,5,6-tetrahydroxyhexanal
Basic Information
CAS
14685-79-1
Multi CAS
No
Molecular Formula
C6H11ClO5
Molecular Weight
198.600000
Exact Mass
198.029501
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)Cl)O)O)O)O
InChI
InChI=1S/C6H11ClO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1
InChIKey
RBEGMPAFDRYYIG-SLPGGIOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
4
Molar refractivity
40.81
TPSA
97.99
LogP / Solubility
WLOGP
-2.13
MLOGP
-1.88
XLogP3
-2.2
Consensus LogP
-2.07
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
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)
-5.45
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
3.5
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