CAS RN: 598-32-3
1-Buten-3-ol
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250702 | 100ml | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20260311 | 25ml | In stock | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20251031 | 500ml | In stock | Shandong | Inquiry |
| Batchno.20250211 | 5ml | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: ICTB0695
- Purity/Analytical Methods: >97.0%(GC)
598-32-3 / but-3-en-2-ol
Basic Information
CAS
598-32-3
Multi CAS
Yes
Molecular Formula
C4H8O
Molecular Weight
72.110000
Exact Mass
72.057515
InChI
InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKey
MKUWVMRNQOOSAT-UHFFFAOYSA-N
Physical Properties
Physical Description
Clear light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
21.88
TPSA
20.23
LogP / Solubility
WLOGP
0.55
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-2.77
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
