CAS RN: 1932159-94-8
tert-butyl (2R)-2-cyanoazetidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-090428
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 | Shanghai | Inquiry |
1932159-94-8 / tert-butyl (2R)-2-cyanoazetidine-1-carboxylate
Basic Information
CAS
1932159-94-8
Multi CAS
No
Molecular Formula
C9H14N2O2
Molecular Weight
182.220000
Exact Mass
182.105528
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]1C#N
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-5H2,1-3H3/t7-/m1/s1
InChIKey
WUFVFANOTQZHBP-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.96
TPSA
53.33
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.1
Consensus LogP
1.32
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
tert-butyl (3S,4R)-3-amino-4-methylpyrrolidine-1-carboxylate
- CAS RN: 1932160-29-6
- Product Code: SSC-090429
-
(3R,6S)-1-(tert-butoxycarbonyl)-6-methylpiperidine-3-carboxylic acid
- CAS RN: 1932189-29-1
- Product Code: starshine_CAS1932189-29-1
- Purity/Analytical method: >99.0%
-
2R,3S-1-Boc-2-methyl-piperidine-3-carboxylic acid
- CAS RN: 1932193-81-1
- Product Code: SSC-090445
-
(2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid
- CAS RN: 1932195-22-6
- Product Code: SSC-090447
-
(1R,2S)-2-tert-Butoxycarbonylamino-cyclopropanecarboxylic acid
- CAS RN: 1932197-90-4
- Product Code: SSC-090449
-
tert-butyl N-[exo-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
- CAS RN: 1932203-04-7
- Product Code: SSC-090453
![CAS 1932195-22-6 (2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1932195-22-6.gif)
![CAS 1932203-04-7 tert-butyl N-[exo-2-azabicyclo[2.2.1]heptan-5-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1932203-04-7.gif)