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CAS 39770-05-3 9-DECENAL molecular structure lightbox
CAS RN: 39770-05-3

9-DECENAL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS39770-05-3
  • Purity/Analytical Methods: >99.0%
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39770-05-3 / dec-9-enal

Standard CAS: 39770-05-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
39770-05-3
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2
InChIKey
AKMSQWLDTSOVME-UHFFFAOYSA-N

Physical Properties

Boiling Point
211.00 °C. @ 760.00 mm Hg
Density
0.843-0.849
Physical Description
Colourless liquid; aroma of cooked meat
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.7
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
48.58
TPSA
17.07

LogP / Solubility

WLOGP
3.1
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.04
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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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