CAS RN: 1620451-38-8
TERT-BUTYL 3-(1-AMINO-2-METHOXY-2-Oxoethyl)Azetidine-1-Carboxylate
- Product code: SSC-069551
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 | Beijing | Inquiry |
1620451-38-8 / tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)azetidine-1-carboxylate
Basic Information
CAS
1620451-38-8
Multi CAS
No
Molecular Formula
C11H20N2O4
Molecular Weight
244.290000
Exact Mass
244.142307
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C(=O)OC)N
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-5-7(6-13)8(12)9(14)16-4/h7-8H,5-6,12H2,1-4H3
InChIKey
HGSNWIDVQSMJKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.29
TPSA
81.86
LogP / Solubility
WLOGP
0.35
MLOGP
0.32
XLogP3
0.2
Consensus LogP
0.29
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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