CAS RN: 1800100-68-8
(S)-1-Diethoxyphosphoryl-2-methylaziridine
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.20250223 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-080414
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 | Hong Kong | Inquiry |
1800100-68-8 / (2S)-1-diethoxyphosphoryl-2-methylaziridine
Basic Information
CAS
1800100-68-8
Multi CAS
No
Molecular Formula
C7H16NO3P
Molecular Weight
193.180000
Exact Mass
193.086780
SMILES
CCOP(=O)(N1C[C@@H]1C)OCC
InChI
InChI=1S/C7H16NO3P/c1-4-10-12(9,11-5-2)8-6-7(8)3/h7H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKey
OJIVQDIJUPTQTI-JAMMHHFISA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
47.03
TPSA
38.54
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
0.6
Consensus LogP
1.37
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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