CAS RN: 5948-04-9
(+)-DIHYDROCARVONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250720 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS5948-04-9
- Purity/Analytical Methods: >99.0%
5948-04-9 / trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Basic Information
CAS
5948-04-9
Multi CAS
Yes
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKey
AZOCECCLWFDTAP-RKDXNWHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.33
TPSA
17.07
LogP / Solubility
WLOGP
2.57
MLOGP
2.25
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-1.83
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
2.5
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(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid
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