CAS RN: 167029-54-1
(S)-(1-tosylaziridin-2-yl)methanol(WX191532)
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.20250514 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS167029-54-1
- Purity/Analytical Methods: >99.0%
167029-54-1 / [(2S)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
Basic Information
CAS
167029-54-1
Multi CAS
No
Molecular Formula
C10H13NO3S
Molecular Weight
227.280000
Exact Mass
227.061614
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]2CO
InChI
InChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(11)7-12/h2-5,9,12H,6-7H2,1H3/t9-,11?/m0/s1
InChIKey
BDBQXGZJGMVTGC-FTNKSUMCSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.94
TPSA
57.38
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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