CAS RN: 496-55-9
D-Erythrulose
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.20260402 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS496-55-9
- Purity/Analytical Methods: >99.0%
496-55-9 / 1,3,4-trihydroxybutan-2-one
Basic Information
CAS
496-55-9
Multi CAS
Yes
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
InChI
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2
InChIKey
UQPHVQVXLPRNCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
25.19
TPSA
77.76
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.86
XLogP3
-2
Consensus LogP
-1.99
Log S (ESOL)
0.94
Class (ESOL)
Highly soluble
Log S (Ali)
0.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.94
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)
-4.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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