CAS RN: 144429-71-0
Goniodiol 8-acetate
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.20260503 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS144429-71-0
- Purity/Analytical Methods: >99.0%
144429-71-0 / [(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
Basic Information
CAS
144429-71-0
Multi CAS
No
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
SMILES
CC(=O)O[C@H](C1=CC=CC=C1)[C@H]([C@H]2CC=CC(=O)O2)O
InChI
InChI=1S/C15H16O5/c1-10(16)19-15(11-6-3-2-4-7-11)14(18)12-8-5-9-13(17)20-12/h2-7,9,12,14-15,18H,8H2,1H3/t12-,14+,15-/m1/s1
InChIKey
VWWLVBSOTCIVHI-VHDGCEQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.59
TPSA
72.83
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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