CAS RN: 87151-63-1

(+/-)-1-oxaspiro[4,5]dec-7-ene

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS87151-63-1
  • Purity/Analytical Methods: >99.0%
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87151-63-1 / 1-oxaspiro[4.5]dec-7-ene

Standard CAS: 87151-63-1 Multi CAS: No

Basic Information

CAS
87151-63-1
Multi CAS
No
Molecular Formula
C9H14O
Molecular Weight
138.210000
Exact Mass
138.104465
InChI
InChI=1S/C9H14O/c1-2-5-9(6-3-1)7-4-8-10-9/h1-2H,3-8H2
InChIKey
NJNWTZBTAYSXRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.78
H-bond acceptors
1
Molar refractivity
40.91
TPSA
9.23

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-1.95

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
3

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