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CAS 18835-33-1 hexacos-1-ene molecular structure lightbox
CAS RN: 18835-33-1

hexacos-1-ene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 1g / 5g / 10g / 50g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS18835-33-1
  • Purity/Analytical Methods: >99.0%
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18835-33-1 / hexacos-1-ene

Standard CAS: 18835-33-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
18835-33-1
Multi CAS
No
Molecular Formula
C26H52
Molecular Weight
364.700000
Exact Mass
364.406902
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3
InChIKey
OMXANELYEWRDAW-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.92
Rotatable bonds
23
Molar refractivity
122.06
TPSA
0.0000

LogP / Solubility

WLOGP
10.16
MLOGP
8.96
XLogP3
14.4
Consensus LogP
11.17
Log S (ESOL)
-6.99
Class (ESOL)
Insoluble
Log S (Ali)
-9.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 68 of 68 companies. For more detailed information, please visit ECHA C&L website.

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