CAS RN: 69543-15-3
1-(Bromomethyl)cyclopentene
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.20250527 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS69543-15-3
- Purity/Analytical Methods: >99.0%
69543-15-3 / 1-(bromomethyl)cyclopentene
Basic Information
CAS
69543-15-3
Multi CAS
No
Molecular Formula
C6H9BR
Molecular Weight
161.040000
Exact Mass
159.988760
InChI
InChI=1S/C6H9Br/c7-5-6-3-1-2-4-6/h3H,1-2,4-5H2
InChIKey
NPTOTGQBAVKSOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
Molar refractivity
35.73
TPSA
0.0000
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.93
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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