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
- 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.
81028-92-4 / 3-(3,5-dichlorophenoxy)benzaldehyde
Basic Information
CAS
81028-92-4
Multi CAS
No
Molecular Formula
C13H8CL2O2
Molecular Weight
267.100000
Exact Mass
265.990135
InChI
InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H
InChIKey
BISWHYILBVQCRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
68.37
TPSA
26.3
LogP / Solubility
WLOGP
4.6
MLOGP
4.05
XLogP3
4.6
Consensus LogP
4.42
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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Bis[1,3-bis( 2-ethenyl)-1,1,3,3-tetramethyldisiloxane]platinum
- CAS RN: 81032-58-8
- Product Code: starshine_CAS81032-58-8
- Purity/Analytical method: >99.0%
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![CAS 81032-58-8 Bis[1,3-bis( 2-ethenyl)-1,1,3,3-tetramethyldisiloxane]platinum molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81032-58-8.gif)
