CAS RN: 1648864-55-4
tert-Butyl 3-((2-hydroxyethyl)sulfonyl)-azetidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-072058
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
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1648864-55-4 / tert-butyl 3-(2-hydroxyethylsulfonyl)azetidine-1-carboxylate
Basic Information
CAS
1648864-55-4
Multi CAS
No
Molecular Formula
C10H19NO5S
Molecular Weight
265.330000
Exact Mass
265.098394
SMILES
CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)CCO
InChI
InChI=1S/C10H19NO5S/c1-10(2,3)16-9(13)11-6-8(7-11)17(14,15)5-4-12/h8,12H,4-7H2,1-3H3
InChIKey
AIYSARHJAXEYGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.47
TPSA
83.91
LogP / Solubility
WLOGP
0.01
MLOGP
0.02
XLogP3
-0.4
Consensus LogP
-0.12
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
TERT-BUTYL 3-((2-ETHOXY-2-OXOETHYL)SULFONYL)AZETIDINE-1-CARBOXYLATE
- CAS RN: 1648864-57-6
- Product Code: starshine_CAS1648864-57-6
- Purity/Analytical method: >99.0%
-
(Meso-1R,5S,6S)-Tert-Butyl 6-(2-Hydroxyethyl)-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate
- CAS RN: 1648868-97-6
- Product Code: SSC-072059
-
“N-[3,5-Bis(trifluoromethyl)phenyl]-N’-[(S)-2′-(dimethylamino)[1,1′-binaphthalen]-2-yl]thiourea”
- CAS RN: 1649427-16-6
- Product Code: starshine_CAS1649427-16-6
- Purity/Analytical method: >99.0%
-
ML352
- CAS RN: 1649450-12-3
- Product Code: starshine_CAS1649450-12-3
- Purity/Analytical method: >99.0%
-
5-bromo-4-cyclopropyl-6-methoxypyrimidine(WX192148)
- CAS RN: 1649454-57-8
- Product Code: SSC-072089
-
![CAS 1648868-97-6 (Meso-1R,5S,6S)-Tert-Butyl 6-(2-Hydroxyethyl)-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1648868-97-6.gif)
![CAS 1649427-16-6 “N-[3,5-Bis(trifluoromethyl)phenyl]-N’-[(S)-2′-(dimethylamino)[1,1′-binaphthalen]-2-yl]thiourea” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB63160529.gif)
