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CAS 18654-81-4 (Z)-oct-4-enoic acid molecular structure lightbox
CAS RN: 18654-81-4

(Z)-oct-4-enoic acid

  • Product code: SSC-086662
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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, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 18654-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

18654-81-4 / (Z)-oct-4-enoic acid

Standard CAS: 18654-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18654-81-4
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
CCC/C=C\CCC(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h4-5H,2-3,6-7H2,1H3,(H,9,10)/b5-4-
InChIKey
PFHBCQFBHMBAMC-PLNGDYQASA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.92
TPSA
37.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.02

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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