CAS RN: 1251748-32-9
Vibralactone D
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1251748-32-9
- Purity/Analytical Methods: >99.0%
1251748-32-9 / (1R,5S,7S)-7-hydroxy-1-(3-methylbut-2-enyl)-3-oxabicyclo[3.2.1]octan-2-one
Basic Information
CAS
1251748-32-9
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
SMILES
CC(=CC[C@@]12C[C@@H](C[C@@H]1O)COC2=O)C
InChI
InChI=1S/C12H18O3/c1-8(2)3-4-12-6-9(5-10(12)13)7-15-11(12)14/h3,9-10,13H,4-7H2,1-2H3/t9-,10+,12-/m1/s1
InChIKey
SUNCJWCQYMBYLA-JFGNBEQYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.17
TPSA
46.53
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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