CAS RN: 22508-64-1
4-METHYL-4-PENTEN-1-OL
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.20250903 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22508-64-1
- Purity/Analytical Methods: >99.0%
22508-64-1 / 4-methylpent-4-en-1-ol
Basic Information
CAS
22508-64-1
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
SMILES
CC(=C)CCCO
InChI
InChI=1S/C6H12O/c1-6(2)4-3-5-7/h7H,1,3-5H2,2H3
InChIKey
LOFHPLKGPULNQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.13
TPSA
20.23
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.37
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.38
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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