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CAS 100144-59-0 1-(2-Ethoxyethynyl)cyclopentanol molecular structure lightbox
CAS RN: 100144-59-0

1-(2-Ethoxyethynyl)cyclopentanol

  • Product code: SSC-000547
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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: 0.25g
  • 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 100144-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

100144-59-0 / 1-(2-ethoxyethynyl)cyclopentan-1-ol

1-(2-Ethoxyethynyl)cyclopentanol | 1-(2-ethoxyethynyl)cyclopentan-1-ol | 1-(Ethoxyethynyl)cyclopentanol

Standard CAS: 100144-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100144-59-0
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
SMILES
CCOC#CC1(CCCC1)O
InChI
InChI=1S/C9H14O2/c1-2-11-8-7-9(10)5-3-4-6-9/h10H,2-6H2,1H3
InChIKey
KMJASHPACNLBOD-UHFFFAOYSA-N
Synonyms
1-(2-Ethoxyethynyl)cyclopentanol 1-(2-ethoxyethynyl)cyclopentan-1-ol 1-(Ethoxyethynyl)cyclopentanol MFCD22421706 1-(Ethoxyethynyl)cyclopentan-1-ol

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.82
TPSA
29.46

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.4
Consensus LogP
1.27
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.75

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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