![CAS 62596-62-7 R-1-[(4-Methylphenyl)sulfonyl]-2–phenyl-Aziridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/62596-62-7.gif)
CAS RN: 62596-62-7
R-1-[(4-Methylphenyl)sulfonyl]-2–phenyl-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.20250126 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62596-62-7
- Purity/Analytical Methods: >99.0%
62596-62-7 / 1-(4-methylphenyl)sulfonyl-2-phenylaziridine
Basic Information
CAS
62596-62-7
Multi CAS
Yes
Molecular Formula
C15H15NO2S
Molecular Weight
273.400000
Exact Mass
273.082350
InChI
InChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19(17,18)16-11-15(16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey
KUWCTOOXSUPLAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
74.25
TPSA
37.15
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.7
Consensus LogP
2.62
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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