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CAS 16369-12-3 8-HEPTADECENE molecular structure lightbox
CAS RN: 16369-12-3

8-HEPTADECENE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16369-12-3
  • Purity/Analytical Methods: >99.0%
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16369-12-3 / (E)-heptadec-8-ene

Standard CAS: 16369-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16369-12-3
Multi CAS
No
Molecular Formula
C17H34
Molecular Weight
238.500000
Exact Mass
238.266051
SMILES
CCCCCCCC/C=C/CCCCCCC
InChI
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h15,17H,3-14,16H2,1-2H3/b17-15+
InChIKey
BIQKRILZMDQPHI-BMRADRMJSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.88
Rotatable bonds
13
Molar refractivity
80.51
TPSA
0.0000

LogP / Solubility

WLOGP
6.65
MLOGP
5.86
XLogP3
8.5
Consensus LogP
7
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
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)
0.55

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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