CAS RN: 942410-33-5
rac-S-cyclopropyl-S-(p-nitrophenyl)sulfoximine
- Product code: SSC-208882
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
942410-33-5 / cyclopropyl-imino-(4-nitrophenyl)-oxo-lambda6-sulfane
Basic Information
CAS
942410-33-5
Multi CAS
No
Molecular Formula
C9H10N2O3S
Molecular Weight
226.250000
Exact Mass
226.041213
InChI
InChI=1S/C9H10N2O3S/c10-15(14,9-5-6-9)8-3-1-7(2-4-8)11(12)13/h1-4,9-10H,5-6H2
InChIKey
NONWGPPTZUAPQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.25
TPSA
84.06
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.8
Consensus LogP
2.29
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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
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