CAS RN: 4161-60-8
4-hydroxypentan-2-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4161-60-8
- Purity/Analytical Methods: >99.0%
4161-60-8 / 4-hydroxypentan-2-one
Basic Information
CAS
4161-60-8
Multi CAS
Yes
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
InChI
InChI=1S/C5H10O2/c1-4(6)3-5(2)7/h4,6H,3H2,1-2H3
InChIKey
PCYZZYAEGNVNMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.98
TPSA
37.3
LogP / Solubility
WLOGP
0.35
MLOGP
0.29
XLogP3
-0.4
Consensus LogP
0.08
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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