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CAS 25148-01-0 3-Ethyl-1-methyl-1,3-cyclopentadiene molecular structure lightbox
CAS RN: 25148-01-0

3-Ethyl-1-methyl-1,3-cyclopentadiene

  • Product code: SSC-120764
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25148-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

25148-01-0 / 3-ethyl-1-methylcyclopenta-1,3-diene

Standard CAS: 25148-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25148-01-0
Multi CAS
No
Molecular Formula
C8H12
Molecular Weight
108.180000
Exact Mass
108.093900
SMILES
CCC1=CCC(=C1)C
InChI
InChI=1S/C8H12/c1-3-8-5-4-7(2)6-8/h5-6H,3-4H2,1-2H3
InChIKey
AOUGDAYMVXBDDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
36.75
TPSA
0.0000

LogP / Solubility

WLOGP
2.67
MLOGP
2.34
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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