CAS RN: 31525-67-4
4 4-DIMETHOXY-2-METHYL-2-BUTANOL 97
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.20250422 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS31525-67-4
- Purity/Analytical Methods: >99.0%
31525-67-4 / 4,4-dimethoxy-2-methylbutan-2-ol
Basic Information
CAS
31525-67-4
Multi CAS
No
Molecular Formula
C7H16O3
Molecular Weight
148.200000
Exact Mass
148.109944
InChI
InChI=1S/C7H16O3/c1-7(2,8)5-6(9-3)10-4/h6,8H,5H2,1-4H3
InChIKey
RLJXZLBECCIWMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.72
TPSA
38.69
LogP / Solubility
WLOGP
0.77
MLOGP
0.67
XLogP3
0.4
Consensus LogP
0.61
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.08
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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