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CAS 58405-37-1 prop-2-ynylcyclopropane molecular structure lightbox
CAS RN: 58405-37-1

prop-2-ynylcyclopropane

  • Product code: SSC-166650
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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: 0.1g, 0.25g, 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 58405-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

58405-37-1 / prop-1-ynylcyclopropane

Standard CAS: 58405-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58405-37-1
Multi CAS
Yes
Molecular Formula
C6H8
Molecular Weight
80.130000
Exact Mass
80.062600
InChI
InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2
InChIKey
WYQUDTBKJDQONL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Molar refractivity
26.17
TPSA
0.0000

LogP / Solubility

WLOGP
1.42
MLOGP
1.23
XLogP3
2
Consensus LogP
1.55
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.2

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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