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CAS 19780-80-4 2-HEXYL-1-OCTENE molecular structure lightbox
CAS RN: 19780-80-4

2-HEXYL-1-OCTENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 100mg In stock Shanghai Inquiry
  • Product code: SSC-093243
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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, 0.25g, 5g, 0.1g
  • Available purity: ≥98%
  • 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 19780-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Shenzhen Inquiry
0.25g ≥98% 1 In Stock Shanghai Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
0.1g ≥98% 0 Out of Stock Shanghai Inquiry

19780-80-4 / 7-methylidenetridecane

Standard CAS: 19780-80-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19780-80-4
Multi CAS
No
Molecular Formula
C14H28
Molecular Weight
196.370000
Exact Mass
196.219101
SMILES
CCCCCCC(=C)CCCCCC
InChI
InChI=1S/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h3-13H2,1-2H3
InChIKey
QDOYJBSJTHIWKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
10
Molar refractivity
66.66
TPSA
0.0000

LogP / Solubility

WLOGP
5.48
MLOGP
4.82
XLogP3
7.3
Consensus LogP
5.87
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.02

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H304 (95.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement Codes
P301+P316, P331, P405, and P501

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