CAS RN: 37853-61-5
TETRABROMOBISPHENOL A DIMETHYL ETHER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260523 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS37853-61-5
- Purity/Analytical Methods: >99.0%
37853-61-5 / 1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene
Basic Information
CAS
37853-61-5
Multi CAS
Yes
Molecular Formula
C17H16BR4O2
Molecular Weight
571.900000
Exact Mass
571.784280
InChI
InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3
InChIKey
XRQKNNNAKHZPSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
108.92
TPSA
18.46
LogP / Solubility
WLOGP
7.08
MLOGP
6.27
XLogP3
7.4
Consensus LogP
6.92
Log S (ESOL)
-7.97
Class (ESOL)
Insoluble
Log S (Ali)
-9.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS37854-59-4
- Purity/Analytical method: >99.0%
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