![CAS 1207754-84-4 R-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1207754-84-4.gif)
CAS RN: 1207754-84-4
R-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260322 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1207754-84-4
- Purity/Analytical Methods: >99.0%
1207754-84-4 / 2-tert-butyl-1-(4-methylphenyl)sulfonylaziridine
2-tert-butyl-1-(4-methylphenyl)sulfonylaziridine | 2-tert-butyl-1-(4-methylbenzenesulfonyl)aziridine | (R)-2-(tert-Butyl)-1-tosylaziridine
Basic Information
CAS
1207754-84-4
Multi CAS
Yes
Molecular Formula
C13H19NO2S
Molecular Weight
253.360000
Exact Mass
253.113650
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC2C(C)(C)C
InChI
InChI=1S/C13H19NO2S/c1-10-5-7-11(8-6-10)17(15,16)14-9-12(14)13(2,3)4/h5-8,12H,9H2,1-4H3
InChIKey
NZARMBGWBDHTMI-UHFFFAOYSA-N
Synonyms
2-tert-butyl-1-(4-methylphenyl)sulfonylaziridine
2-tert-butyl-1-(4-methylbenzenesulfonyl)aziridine
(R)-2-(tert-Butyl)-1-tosylaziridine
(S)-2-(tert-Butyl)-1-tosylaziridine
R-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
68.31
TPSA
37.15
LogP / Solubility
WLOGP
2.41
MLOGP
2.13
XLogP3
3
Consensus LogP
2.51
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
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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