CAS RN: 142745-26-4
R-2-ISOPROPYL-1-(TOLUENE-4-SULFONYL)-AZIRIDINE
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.20250329 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142745-26-4
- Purity/Analytical Methods: >99.0%
142745-26-4 / (2R)-1-(4-methylphenyl)sulfonyl-2-propan-2-ylaziridine
Basic Information
CAS
142745-26-4
Multi CAS
No
Molecular Formula
C12H17NO2S
Molecular Weight
239.340000
Exact Mass
239.098000
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]2C(C)C
InChI
InChI=1S/C12H17NO2S/c1-9(2)12-8-13(12)16(14,15)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKey
KEQXAGSLQICYGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
63.7
TPSA
37.15
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
2.6
Consensus LogP
2.14
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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