CAS RN: 1158759-58-0
3-(Boc-aMinoMethyl)azetidine-3-carboxylic acid
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.20250210 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-015662
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 |
1158759-58-0 / 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]azetidine-3-carboxylic acid
3-(BOC-AMINOMETHYL)AZETIDINE-3-CARBOXYLIC ACID | MFCD22566171 | 3-({[(tert-butoxy)carbonyl]amino}methyl)azetidine-3-carboxylic acid
Basic Information
CAS
1158759-58-0
Multi CAS
Yes
Molecular Formula
C10H18N2O4
Molecular Weight
230.260000
Exact Mass
230.126657
SMILES
CC(C)(C)OC(=O)NCC1(CNC1)C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-6-10(7(13)14)4-11-5-10/h11H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
HYFXFPLCIOWZCR-UHFFFAOYSA-N
Synonyms
3-(BOC-AMINOMETHYL)AZETIDINE-3-CARBOXYLIC ACID
MFCD22566171
3-({[(tert-butoxy)carbonyl]amino}methyl)azetidine-3-carboxylic acid
3-Azetidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-
3-(((tert-Butoxycarbonyl)amino)methyl)azetidine-3-carboxylic acid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.18
TPSA
87.66
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
-2.7
Consensus LogP
-0.78
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
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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