[email protected]
CAS 105424-75-7 2-carbomethoxy-N-tosylaziridine molecular structure lightbox
CAS RN: 105424-75-7

2-carbomethoxy-N-tosylaziridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260428 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS105424-75-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105424-75-7 / methyl (2S)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate

(S)-Methyl 1-tosylaziridine-2-carboxylate | MFCD31652386 | methyl (2S)-1-(4-methylbenzenesulfonyl)aziridine-2-carboxylate

Standard CAS: 105424-75-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105424-75-7
Multi CAS
Yes
Molecular Formula
C11H13NO4S
Molecular Weight
255.290000
Exact Mass
255.056529
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]2C(=O)OC
InChI
InChI=1S/C11H13NO4S/c1-8-3-5-9(6-4-8)17(14,15)12-7-10(12)11(13)16-2/h3-6,10H,7H2,1-2H3/t10-,12?/m0/s1
InChIKey
XVHSPJDUTHOVFO-NUHJPDEHSA-N
Synonyms
(S)-Methyl 1-tosylaziridine-2-carboxylate MFCD31652386 methyl (2S)-1-(4-methylbenzenesulfonyl)aziridine-2-carboxylate SCHEMBL29948324 XVHSPJDUTHOVFO-NUHJPDEHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
60.87
TPSA
63.45

LogP / Solubility

WLOGP
0.54
MLOGP
0.48
XLogP3
1.2
Consensus LogP
0.74
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.89

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