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CAS 21662-09-9 CIS-4-DECENAL molecular structure lightbox
CAS RN: 21662-09-9

CIS-4-DECENAL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS21662-09-9
  • Purity/Analytical Methods: >99.0%
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21662-09-9 / (Z)-dec-4-enal

Standard CAS: 21662-09-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21662-09-9
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
CCCCC/C=C\CCC=O
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-
InChIKey
CWRKZMLUDFBPAO-SREVYHEPSA-N

Physical Properties

Boiling Point
78.00 to 80.00 °C. @ 10.00 mm Hg

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
48.58
TPSA
17.07

LogP / Solubility

WLOGP
3.1
MLOGP
2.72
XLogP3
3.1
Consensus LogP
2.97
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

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

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