CAS RN: 58072-60-9
3-PENTYN-2-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.20251007 | 1ml | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS58072-60-9
- Purity/Analytical Methods: >99.0%
58072-60-9 / pent-3-yn-2-ol
Basic Information
CAS
58072-60-9
Multi CAS
No
Molecular Formula
C5H8O
Molecular Weight
84.120000
Exact Mass
84.057515
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3
InChIKey
HJFRLXPEVRXBQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.13
TPSA
20.23
LogP / Solubility
WLOGP
0.39
MLOGP
0.33
XLogP3
0.6
Consensus LogP
0.44
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-2.96
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
2
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