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CAS 31995-08-1 3-(2-Methoxyethoxy)prop-1-yne molecular structure lightbox
CAS RN: 31995-08-1

3-(2-Methoxyethoxy)prop-1-yne

  • Product code: SSC-137444
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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 31995-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

31995-08-1 / 3-(2-methoxyethoxy)prop-1-yne

Standard CAS: 31995-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31995-08-1
Multi CAS
No
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
InChI
InChI=1S/C6H10O2/c1-3-4-8-6-5-7-2/h1H,4-6H2,2H3
InChIKey
QBAUXHLFPCHTQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
31.53
TPSA
18.46

LogP / Solubility

WLOGP
0.28
MLOGP
0.24
Consensus LogP
0.17
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very 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)
-3.22

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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