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CAS 36678-08-7 3-butynyl methyl ether molecular structure lightbox
CAS RN: 36678-08-7

3-butynyl methyl ether

  • Product code: SSC-143880
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 36678-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 4 In Stock Beijing Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

36678-08-7 / 4-methoxybut-1-yne

Standard CAS: 36678-08-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36678-08-7
Multi CAS
No
Molecular Formula
C5H8O
Molecular Weight
84.120000
Exact Mass
84.057515
InChI
InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3
InChIKey
RCYIWFITYHZCIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
25.33
TPSA
9.23

LogP / Solubility

WLOGP
0.66
MLOGP
0.56
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-2.77

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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