CAS RN: 1884303-05-2
1-tert-butyl 3-methyl 3-hydroxyazetidine-1,3-dicarboxylate
- Product code: SSC-087678
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Shanghai | Inquiry |
| 25g | >95% | 1 In Stock | Hong Kong | Inquiry |
1884303-05-2 / 1-O-tert-butyl 3-O-methyl 3-hydroxyazetidine-1,3-dicarboxylate
Basic Information
CAS
1884303-05-2
Multi CAS
No
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)OC)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(13)11-5-10(14,6-11)7(12)15-4/h14H,5-6H2,1-4H3
InChIKey
WSGWPDZGNJTWIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.77
TPSA
76.07
LogP / Solubility
WLOGP
0.14
MLOGP
0.13
Consensus LogP
0.09
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1884461-72-6 Urea, N-[2-[(2E)-6,7-dihydro-9,10-dimethoxy-4-oxo-2-[(2,4,6-trimethylphenyl)imino]-2H-pyrimido[6,1-a]isoquinolin-3(4H)-yl]ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1884461-72-6.gif)
