CAS RN: 70288-65-2
Methyl 2,4-dibromobutyrate
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.20250817 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS70288-65-2
- Purity/Analytical Methods: >99.0%
70288-65-2 / methyl 2,4-dibromobutanoate
Basic Information
CAS
70288-65-2
Multi CAS
Yes
Molecular Formula
C5H8BR2O2
Molecular Weight
259.920000
Exact Mass
259.887060
InChI
InChI=1S/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3
InChIKey
DQHIGEQXJBMKKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
43.14
TPSA
26.3
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
2.1
Consensus LogP
1.77
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
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
2
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