CAS RN: 13837-75-7
(Z)-limoneneoxide,cis-1,2-epoxy-p-menth-8-ene
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS13837-75-7
- Purity/Analytical Methods: >99.0%
13837-75-7 / (1R,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
Basic Information
CAS
13837-75-7
Multi CAS
No
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
SMILES
CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C
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
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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