CAS RN: 67810-57-5
Methyl 5-Bromopent-2-enoate, 97%(HPLC)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926512
67810-57-5 / methyl (E)-5-bromopent-2-enoate
Basic Information
CAS
67810-57-5
Multi CAS
Yes
Molecular Formula
C6H9BRO2
Molecular Weight
193.040000
Exact Mass
191.978590
InChI
InChI=1S/C6H9BrO2/c1-9-6(8)4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2+
InChIKey
ICTLWQNQOIULKS-DUXPYHPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
39.57
TPSA
26.3
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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