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CAS 30418-89-4 2-NONENYLACETATE molecular structure lightbox
CAS RN: 30418-89-4

2-NONENYLACETATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS30418-89-4
  • Purity/Analytical Methods: >99.0%
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30418-89-4 / non-2-enyl acetate

Standard CAS: 30418-89-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30418-89-4
Multi CAS
Yes
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-7,10H2,1-2H3
InChIKey
WFCCNPHGLLPSDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.73
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
54.53
TPSA
26.3

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.6
Consensus LogP
3.13
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
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)
-1.66

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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