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CAS 4680-24-4 (+)-CIS-LIMONENE 1,2-EPOXIDE molecular structure lightbox
CAS RN: 4680-24-4

(+)-CIS-LIMONENE 1,2-EPOXIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100mg In stock Shanghai Inquiry
Batchno.20250215 1g In stock Shanghai Inquiry
Batchno.20251129 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS4680-24-4
  • Purity/Analytical Methods: >99.0%
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4680-24-4 / 1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

Standard CAS: 4680-24-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4680-24-4
Multi CAS
Yes
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
InChI
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
InChIKey
CCEFMUBVSUDRLG-KXUCPTDWSA-N

Physical Properties

Density
0.926-0.936 (20°)
Physical Description
Liquid Colourless to pale yellow liquid; fresh clean citrus aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.43
TPSA
12.53

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-1.86

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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