CAS RN: 58016-29-8
3 – Hydroxy – 5 – n – pentyl – 2 – cyclohexen – 1 – on
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.20260609 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58016-29-8
- Purity/Analytical Methods: >99.0%
58016-29-8 / 3-hydroxy-5-pentylcyclohex-2-en-1-one
Basic Information
CAS
58016-29-8
Multi CAS
No
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
InChI
InChI=1S/C11H18O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h8-9,12H,2-7H2,1H3
InChIKey
CBHXMWWKQZREOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.58
TPSA
37.3
LogP / Solubility
WLOGP
2.99
MLOGP
2.63
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.71
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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