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CAS 2146-38-5 1-Ethyl-1-cyclopentene molecular structure lightbox
CAS RN: 2146-38-5

1-Ethyl-1-cyclopentene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 1ml In stock Shanghai Inquiry
  • Product code: ICTE0293
  • Purity/Analytical Methods: >95.0%(GC)
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2146-38-5 / 1-ethylcyclopentene

Standard CAS: 2146-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2146-38-5
Multi CAS
No
Molecular Formula
C7H12
Molecular Weight
96.170000
Exact Mass
96.093900
SMILES
CCC1=CCCC1
InChI
InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h5H,2-4,6H2,1H3
InChIKey
QYYQTLLGVAPKPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.71
Rotatable bonds
1
Molar refractivity
32.22
TPSA
0.0000

LogP / Solubility

WLOGP
2.51
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.33
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-1.53

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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