![CAS 2173991-92-7 tert-butyl N-[(3-methoxyazetidin-3-yl)methyl]carbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173991-92-7.png)
CAS RN: 2173991-92-7
tert-butyl N-[(3-methoxyazetidin-3-yl)methyl]carbamate hydrochloride
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.20250219 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-104935
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: ≥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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2173991-92-7 / tert-butyl N-[(3-methoxyazetidin-3-yl)methyl]carbamate;hydrochloride
Basic Information
CAS
2173991-92-7
Multi CAS
No
Molecular Formula
C10H21ClN2O3
Molecular Weight
252.740000
Exact Mass
252.124070
SMILES
CC(C)(C)OC(=O)NCC1(CNC1)OC.Cl
InChI
InChI=1S/C10H20N2O3.ClH/c1-9(2,3)15-8(13)12-7-10(14-4)5-11-6-10;/h11H,5-7H2,1-4H3,(H,12,13);1H
InChIKey
XWADJUYPSRALKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.09
TPSA
59.59
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
0.92
Consensus LogP
0.89
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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