![CAS 2055848-86-5 2-(2-fluorophenyl)-2-methyl-1-[(4-nitrophenyl)sulfonyl]-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055848-86-5.png)
CAS RN: 2055848-86-5
2-(2-fluorophenyl)-2-methyl-1-[(4-nitrophenyl)sulfonyl]-, (2R)-
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.20250724 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2055848-86-5
- Purity/Analytical Methods: >99.0%
2055848-86-5 / (2R)-2-(2-fluorophenyl)-2-methyl-1-(4-nitrophenyl)sulfonylaziridine
Basic Information
CAS
2055848-86-5
Multi CAS
No
Molecular Formula
C15H13FN2O4S
Molecular Weight
336.300000
Exact Mass
336.058006
SMILES
C[C@]1(CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F
InChI
InChI=1S/C15H13FN2O4S/c1-15(13-4-2-3-5-14(13)16)10-17(15)23(21,22)12-8-6-11(7-9-12)18(19)20/h2-9H,10H2,1H3/t15-,17?/m0/s1
InChIKey
IITPOHZVHXYLKZ-MYJWUSKBSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
80.74
TPSA
80.29
LogP / Solubility
WLOGP
2.65
MLOGP
2.35
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
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
3.5
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