CAS RN: 2173637-20-0
lithium (S)-1-(tert-butoxycarbonyl)aziridine-2-carboxylate
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.20250707 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-104893
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2173637-20-0 / lithium (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylate
Basic Information
CAS
2173637-20-0
Multi CAS
No
Molecular Formula
C8H12LiNO4
Molecular Weight
193.200000
Exact Mass
193.092636
SMILES
[Li+].CC(C)(C)OC(=O)N1C[C@H]1C(=O)[O-]
InChI
InChI=1S/C8H13NO4.Li/c1-8(2,3)13-7(12)9-4-5(9)6(10)11;/h5H,4H2,1-3H3,(H,10,11);/q;+1/p-1/t5-,9?;/m0./s1
InChIKey
OSKLBSBGDIYHPH-DZXBWKEJSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.74
TPSA
69.44
LogP / Solubility
WLOGP
-3.64
MLOGP
-3.2
XLogP3
-3.64
Consensus LogP
-3.49
Log S (ESOL)
1.32
Class (ESOL)
Highly soluble
Log S (Ali)
1.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.99
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-6.48
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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