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CAS 56598-53-9 1,4-pentadiyn-3-ol molecular structure lightbox
CAS RN: 56598-53-9

1,4-pentadiyn-3-ol

  • Product code: SSC-164599
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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: 0.1g, 1g, 5g, 10g, 25g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 56598-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry

56598-53-9 / penta-1,4-diyn-3-ol

Standard CAS: 56598-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56598-53-9
Multi CAS
No
Molecular Formula
C5H4O
Molecular Weight
80.080000
Exact Mass
80.026215
InChI
InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H
InChIKey
BKDYPNZJRPEUEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.67
TPSA
20.23

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.35
Consensus LogP
-0.25
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.14
Class (SILICOS-IT)
Highly 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)
-3.48

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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