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CAS 37935-49-2 2-[[(8E,10E)-8,10-Dodecadienyl]oxy]tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 37935-49-2

2-[[(8E,10E)-8,10-Dodecadienyl]oxy]tetrahydro-2H-pyran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS37935-49-2
  • Purity/Analytical Methods: >99.0%
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37935-49-2 / (2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane

Standard CAS: 37935-49-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37935-49-2
Multi CAS
Yes
Molecular Formula
C17H30O2
Molecular Weight
266.400000
Exact Mass
266.224580
InChI
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h2-5,17H,6-16H2,1H3/b3-2+,5-4+
InChIKey
PDBJRNWOKYKKQY-MQQKCMAXSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.76
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
81.2
TPSA
18.46

LogP / Solubility

WLOGP
5
MLOGP
4.41
XLogP3
5.3
Consensus LogP
4.9
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.79

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
2

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