![CAS 2165940-24-7 (2R)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2165940-24-7.png)
CAS RN: 2165940-24-7
(2R)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid
- Product code: SSC-103861
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2165940-24-7 / (2R)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
Basic Information
CAS
2165940-24-7
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC1(CN([C@H]1C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-11(4,5)7(12)8(13)14/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
InChIKey
CZHREJZYTWIJKW-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.14
TPSA
66.84
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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