CAS RN: 61570-82-9
3-Hydroxy-p-menth-1-en-6-one
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.20251018 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS61570-82-9
- Purity/Analytical Methods: >99.0%
61570-82-9 / 4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
Basic Information
CAS
61570-82-9
Multi CAS
Yes
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3
InChIKey
ZFUJCNJIGDBFEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.72
TPSA
37.3
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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