CAS RN: 91313-63-2
1-(propylsulfonyl)propan-2-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.20260404 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS91313-63-2
- Purity/Analytical Methods: >99.0%
91313-63-2 / 1-propylsulfonylpropan-2-one
Basic Information
CAS
91313-63-2
Multi CAS
No
Molecular Formula
C6H12O3S
Molecular Weight
164.220000
Exact Mass
164.050715
InChI
InChI=1S/C6H12O3S/c1-3-4-10(8,9)5-6(2)7/h3-5H2,1-2H3
InChIKey
GIBVRWNWIPWWSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
39.63
TPSA
51.21
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
0.2
Consensus LogP
0.32
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.44
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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