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CAS 17343-83-8 (E)-ethyl 3-cyclopentylacrylate(WXC02698) molecular structure lightbox
CAS RN: 17343-83-8

(E)-ethyl 3-cyclopentylacrylate(WXC02698)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17343-83-8
  • Purity/Analytical Methods: >99.0%
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17343-83-8 / ethyl (E)-3-cyclopentylprop-2-enoate

Standard CAS: 17343-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17343-83-8
Multi CAS
No
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
SMILES
CCOC(=O)/C=C/C1CCCC1
InChI
InChI=1S/C10H16O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h7-9H,2-6H2,1H3/b8-7+
InChIKey
VIBBHFMKHPIDMC-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.73
TPSA
26.3

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2.9
Consensus LogP
2.41
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.12

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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