![CAS 526-91-0 4-Methyl-1-[(2R)-2,3,4,5-tetrahydro-5-Methyl[2,3′-bifuran]-5β-yl]-3-penten-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/526-91-0.gif)
CAS RN: 526-91-0
4-Methyl-1-[(2R)-2,3,4,5-tetrahydro-5-Methyl[2,3′-bifuran]-5β-yl]-3-penten-2-one
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250524 | 10mg / 25mg / 100mg | Confirm by inquiry | Shandong, Chongqing | 5-7 business days | Inquiry |
- Product code: starshine_CAS526-91-0
- Purity/Analytical Methods: >99.0%
526-91-0 / 2,3,4,5-tetrahydroxypentanoic acid
Basic Information
CAS
526-91-0
Multi CAS
Yes
Molecular Formula
C5H10O6
Molecular Weight
166.130000
Exact Mass
166.047738
InChI
InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
InChIKey
QXKAIJAYHKCRRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
5
Molar refractivity
32.74
TPSA
118.22
LogP / Solubility
WLOGP
-2.85
MLOGP
-2.52
XLogP3
-2.7
Consensus LogP
-2.69
Log S (ESOL)
1.19
Class (ESOL)
Highly soluble
Log S (Ali)
1.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.15
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)
-5.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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