CAS RN: 58632-83-0
2-propylacetophenone
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.20251005 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58632-83-0
- Purity/Analytical Methods: >99.0%
58632-83-0 / 1-phenylpentan-1-one
Basic Information
CAS
58632-83-0
Multi CAS
Yes
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
InChI
InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-N
Physical Properties
Melting Point
-9.4 °C
Boiling Point
245.00 °C. @ 760.00 mm Hg
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
50.3
TPSA
17.07
LogP / Solubility
WLOGP
3.06
MLOGP
2.69
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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