CAS RN: 1788044-14-3
tert-Butyl (2-(azetidin-3-yl)propan-2-yl)carbamate hydrochloride
- Product code: SSC-079608
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 |
1788044-14-3 / tert-butyl N-[2-(azetidin-3-yl)propan-2-yl]carbamate;hydrochloride
Basic Information
CAS
1788044-14-3
Multi CAS
No
Molecular Formula
C11H23ClN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1CNC1.Cl
InChI
InChI=1S/C11H22N2O2.ClH/c1-10(2,3)15-9(14)13-11(4,5)8-6-12-7-8;/h8,12H,6-7H2,1-5H3,(H,13,14);1H
InChIKey
CZSKSQNWJVWVMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.06
TPSA
50.36
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
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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