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CAS 19037-72-0 4,4-dimethylcyclopentene molecular structure lightbox
CAS RN: 19037-72-0

4,4-dimethylcyclopentene

  • Product code: SSC-089132
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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 19037-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19037-72-0 / 4,4-dimethylcyclopentene

Standard CAS: 19037-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19037-72-0
Multi CAS
No
Molecular Formula
C7H12
Molecular Weight
96.170000
Exact Mass
96.093900
SMILES
CC1(CC=CC1)C
InChI
InChI=1S/C7H12/c1-7(2)5-3-4-6-7/h3-4H,5-6H2,1-2H3
InChIKey
LKXAUCPURVBMRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.71
Molar refractivity
32.15
TPSA
0.0000

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-1.63

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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