CAS RN: 2173991-98-3
tert-butyl 2-(azetidin-3-yl)acetate 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.20250329 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-104940
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 |
2173991-98-3 / tert-butyl 2-(azetidin-3-yl)acetate;hydrochloride
Basic Information
CAS
2173991-98-3
Multi CAS
No
Molecular Formula
C9H18ClNO2
Molecular Weight
207.700000
Exact Mass
207.102607
SMILES
CC(C)(C)OC(=O)CC1CNC1.Cl
InChI
InChI=1S/C9H17NO2.ClH/c1-9(2,3)12-8(11)4-7-5-10-6-7;/h7,10H,4-6H2,1-3H3;1H
InChIKey
CTWASOKSIVZFFX-UHFFFAOYSA-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
54.07
TPSA
38.33
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(1,3,4-thiadiazol-2-yl)azetidin-3-amine dihydrochloride
- CAS RN: 2173992-01-1
- Product Code: SSC-104942
-
1-(2-methyl-2H-indazol-6-yl)methanamine hydrochloride
- CAS RN: 2173992-05-5
- Product Code: SSC-104943
-
-
-
5-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine dihydrochloride
- CAS RN: 2173992-26-0
- Product Code: starshine_CAS2173992-26-0
- Purity/Analytical method: >99.0%
-
tert-butyl 6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
- CAS RN: 2173992-27-1
- Product Code: SSC-104949
![CAS 2173992-26-0 5-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173992-26-0.png)
![CAS 2173992-27-1 tert-butyl 6-(2-ethoxy-2-oxoethyl)-2-azaspiro[3.3]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173992-27-1.png)