CAS RN: 530081-57-3
1-(4-BROMOPHENYLSULFONYL)AZETIDINE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-160191
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
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
530081-57-3 / 1-(4-bromophenyl)sulfonylazetidine
Basic Information
CAS
530081-57-3
Multi CAS
No
Molecular Formula
BC9H10O2RnS
Molecular Weight
276.150000
Exact Mass
274.961560
InChI
InChI=1S/C9H10BrNO2S/c10-8-2-4-9(5-3-8)14(12,13)11-6-1-7-11/h2-5H,1,6-7H2
InChIKey
MDIDQNAFUFFXTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.52
TPSA
37.38
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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