CAS RN: 71703-16-7
2-(4-bromophenyl)isothiazolidine 1,1-dioxide
- Product code: SSC-181294
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: 5g, 0.25g, 1g, 25g, 0.1g, 10g
- 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 |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shanghai | Inquiry |
71703-16-7 / 2-(4-bromophenyl)-1,2-thiazolidine 1,1-dioxide
Basic Information
CAS
71703-16-7
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)11-6-1-7-14(11,12)13/h2-5H,1,6-7H2
InChIKey
LYQGSNNXYYJBLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.89
TPSA
37.38
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
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)
-2.99
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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