CAS RN: 326925-69-3
1-Ethylcyclopentyl Acrylate (stabilized with MEHQ)
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: ICTE1405
- Purity/Analytical Methods: >95.0%(GC)
326925-69-3 / (1-ethylcyclopentyl) prop-2-enoate
Basic Information
CAS
326925-69-3
Multi CAS
No
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c1-3-9(11)12-10(4-2)7-5-6-8-10/h3H,1,4-8H2,2H3
InChIKey
FDOANYJWOYTZAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.78
TPSA
26.3
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
2.7
Consensus LogP
2.43
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
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)
-2.01
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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