CAS RN: 2173991-87-0
tert-Butyl (3-(hydroxymethyl)azetidin-3-yl)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.20250611 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-104930
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 | Shenzhen | Inquiry |
2173991-87-0 / tert-butyl N-[3-(hydroxymethyl)azetidin-3-yl]carbamate;hydrochloride
Basic Information
CAS
2173991-87-0
Multi CAS
No
Molecular Formula
C9H19ClN2O3
Molecular Weight
238.710000
Exact Mass
238.108420
SMILES
CC(C)(C)OC(=O)NC1(CNC1)CO.Cl
InChI
InChI=1S/C9H18N2O3.ClH/c1-8(2,3)14-7(13)11-9(6-12)4-10-5-9;/h10,12H,4-6H2,1-3H3,(H,11,13);1H
InChIKey
VDRHVXNPAHNKBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
59.3
TPSA
70.59
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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