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CAS 1903-24-8 CYCLOOCTYLIDENEACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 1903-24-8

CYCLOOCTYLIDENEACETIC ACID ETHYL ESTER

  • Product code: SSC-089086
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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 1903-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1903-24-8 / ethyl 2-cyclooctylideneacetate

Standard CAS: 1903-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1903-24-8
Multi CAS
No
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
SMILES
CCOC(=O)C=C1CCCCCCC1
InChI
InChI=1S/C12H20O2/c1-2-14-12(13)10-11-8-6-4-3-5-7-9-11/h10H,2-9H2,1H3
InChIKey
FMPNNLCEQAFVEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.04
TPSA
26.3

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
3.6
Consensus LogP
3.22
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-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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