CAS RN: 2007920-54-7
1-Azetidinecarboxylic acid, 3-amino-2-methyl-, 1,1-dimethylethyl ester, (2R,3R)-rel-
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.20251201 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-094731
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2007920-54-7 / tert-butyl (2R,3R)-3-amino-2-methylazetidine-1-carboxylate
Basic Information
CAS
2007920-54-7
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
SMILES
C[C@@H]1[C@@H](CN1C(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H18N2O2/c1-6-7(10)5-11(6)8(12)13-9(2,3)4/h6-7H,5,10H2,1-4H3/t6-,7-/m1/s1
InChIKey
KMNTYEYDNBONGP-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.38
TPSA
55.56
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.4
Consensus LogP
0.73
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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