CAS RN: 89727-88-8
1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250428 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS89727-88-8
- Purity/Analytical Methods: >99.0%
89727-88-8 / 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
Basic Information
CAS
89727-88-8
Multi CAS
No
Molecular Formula
C6H12O6
Molecular Weight
180.160000
Exact Mass
180.063388
InChI
InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
InChIKey
KEQUNHIAUQQPAC-UHFFFAOYSA-N
Physical Properties
Physical Description
Hygroscopic, crystalline, white to off-white powder; Sweet, cooling, aroma
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
35.98
TPSA
99.38
LogP / Solubility
WLOGP
-2.6
MLOGP
-2.29
XLogP3
-3.1
Consensus LogP
-2.66
Log S (ESOL)
0.82
Class (ESOL)
Highly soluble
Log S (Ali)
0.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
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)
-5.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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