CAS RN: 34695-32-4
3-HYDROXY-3-METHYLGLUTARIC ANHYDRIDE
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.20260122 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34695-32-4
- Purity/Analytical Methods: >99.0%
34695-32-4 / 4-hydroxy-4-methyloxane-2,6-dione
Basic Information
CAS
34695-32-4
Multi CAS
No
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
InChI
InChI=1S/C6H8O4/c1-6(9)2-4(7)10-5(8)3-6/h9H,2-3H2,1H3
InChIKey
UWOCHZAKVUAJQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
4
H-bond donors
1
Molar refractivity
30.96
TPSA
63.6
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.9
Consensus LogP
-0.55
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88
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
1.5
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