CAS RN: 82322-93-8
3-PROPYLCYCLOPENTAN-1-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.20250425 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82322-93-8
- Purity/Analytical Methods: >99.0%
82322-93-8 / (3S)-3-propylcyclopentan-1-one
Basic Information
CAS
82322-93-8
Multi CAS
Yes
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c1-2-3-7-4-5-8(9)6-7/h7H,2-6H2,1H3
InChIKey
TWKQLPXRUHHFBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
37.26
TPSA
17.07
LogP / Solubility
WLOGP
2.16
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.98
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
12(R)-HETE
- CAS RN: 82337-46-0
- Product Code: starshine_CAS82337-46-0
- Purity/Analytical method: >99.0%
-
Coelonin
- CAS RN: 82344-82-9
- Product Code: starshine_CAS82344-82-9
- Purity/Analytical method: >99.0%
-
3,4-dichlorophenyl propenylisobutylamide
- CAS RN: 82351-05-1
- Product Code: starshine_CAS82351-05-1
- Purity/Analytical method: >99.0%
-
