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CAS 35365-59-4 9-OCTADECYNE molecular structure lightbox
CAS RN: 35365-59-4

9-OCTADECYNE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250218 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35365-59-4
  • Purity/Analytical Methods: >99.0%
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35365-59-4 / octadec-9-yne

Standard CAS: 35365-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35365-59-4
Multi CAS
No
Molecular Formula
C18H34
Molecular Weight
250.500000
Exact Mass
250.266051
InChI
InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
NKRBWIXXEQOWRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.89
Rotatable bonds
12
Molar refractivity
83.76
TPSA
0.0000

LogP / Solubility

WLOGP
6.49
MLOGP
5.72
XLogP3
8.8
Consensus LogP
7
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.36

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
1.5

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