CAS RN: 3785-34-0
1,2-Bis(bromoacetoxy)ethane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250222 | 250mg / 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 15 business days | Inquiry |
- Product code: LINB889679
3785-34-0 / 2-(2-bromoacetyl)oxyethyl 2-bromoacetate
Basic Information
CAS
3785-34-0
Multi CAS
Yes
Molecular Formula
C6H8BR2O4
Molecular Weight
303.930000
Exact Mass
303.876880
InChI
InChI=1S/C6H8Br2O4/c7-3-5(9)11-1-2-12-6(10)4-8/h1-4H2
InChIKey
WGHAPLWNJPAJDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
49.51
TPSA
52.6
LogP / Solubility
WLOGP
0.86
MLOGP
0.77
XLogP3
1.6
Consensus LogP
1.08
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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