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CAS 59923-55-6 1,3-Dioxolane, 4-ethynyl-2,2-dimethyl- (7CI,9CI) molecular structure lightbox
CAS RN: 59923-55-6

1,3-Dioxolane, 4-ethynyl-2,2-dimethyl- (7CI,9CI)

  • Product code: SSC-168500
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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 59923-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

59923-55-6 / 4-ethynyl-2,2-dimethyl-1,3-dioxolane

Standard CAS: 59923-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59923-55-6
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
InChI
InChI=1S/C7H10O2/c1-4-6-5-8-7(2,3)9-6/h1,6H,5H2,2-3H3
InChIKey
GPNBPQQQZHDRMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.71
H-bond acceptors
2
Molar refractivity
33.74
TPSA
18.46

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-2.94

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
2

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