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CAS 60609-53-2 (Z)-14-METHYL-8-HEXADECEN-1-AL molecular structure lightbox
CAS RN: 60609-53-2

(Z)-14-METHYL-8-HEXADECEN-1-AL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 250mg In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS60609-53-2
  • Purity/Analytical Methods: >99.0%
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60609-53-2 / 14-methylhexadec-8-enal

Standard CAS: 60609-53-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60609-53-2
Multi CAS
Yes
Molecular Formula
C17H32O
Molecular Weight
252.400000
Exact Mass
252.245316
InChI
InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5-
InChIKey
HSGUJTMCFWXGAP-ALCCZGGFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
13
H-bond acceptors
1
Molar refractivity
80.83
TPSA
17.07

LogP / Solubility

WLOGP
5.69
MLOGP
5.01
XLogP3
6.4
Consensus LogP
5.7
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.58
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)
-0.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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