CAS RN: 30038-94-9
1-BROMO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER
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.20260625 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS30038-94-9
- Purity/Analytical Methods: >99.0%
30038-94-9 / ethyl 1-bromocyclopentane-1-carboxylate
Basic Information
CAS
30038-94-9
Multi CAS
No
Molecular Formula
C8H13BRO2
Molecular Weight
221.090000
Exact Mass
220.009890
InChI
InChI=1S/C8H13BrO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6H2,1H3
InChIKey
HKNNXQUAMZHIER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.76
TPSA
26.3
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.18
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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