[email protected]
CAS 216220-08-5 S-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine molecular structure lightbox
CAS RN: 216220-08-5

S-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS216220-08-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

216220-08-5 / (2S)-2-tert-butyl-1-(4-methylphenyl)sulfonylaziridine

Standard CAS: 216220-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216220-08-5
Multi CAS
No
Molecular Formula
C13H19NO2S
Molecular Weight
253.360000
Exact Mass
253.113650
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]2C(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/t12-,14?/m1/s1
InChIKey
NZARMBGWBDHTMI-PUODRLBUSA-N

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

Customers Also Viewed

Get In Touch

Contact Us