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CAS 362495-75-8 R-1-[(4-Methylphenyl)sulfonyl]-2-(phenylMethyl)-Aziridine molecular structure lightbox
CAS RN: 362495-75-8

R-1-[(4-Methylphenyl)sulfonyl]-2-(phenylMethyl)-Aziridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS362495-75-8
  • Purity/Analytical Methods: >99.0%
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362495-75-8 / 2-benzyl-1-(4-methylphenyl)sulfonylaziridine

Standard CAS: 362495-75-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362495-75-8
Multi CAS
Yes
Molecular Formula
C16H17NO2S
Molecular Weight
287.400000
Exact Mass
287.098000
InChI
InChI=1S/C16H17NO2S/c1-13-7-9-16(10-8-13)20(18,19)17-12-15(17)11-14-5-3-2-4-6-14/h2-10,15H,11-12H2,1H3/t15-,17?/m1/s1
InChIKey
ISURUORMAKCTFF-LDCVWXEPSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
79
TPSA
37.15

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
3.2
Consensus LogP
2.71
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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