CAS RN: 1016974-78-9
Olivil Monoacetate
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.20250424 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1016974-78-9
- Purity/Analytical Methods: >99.0%
1016974-78-9 / [(2S,3R,4S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl acetate
AKOS025289094
Basic Information
CAS
1016974-78-9
Multi CAS
Yes
Molecular Formula
C22H26O8
Molecular Weight
418.400000
Exact Mass
418.162768
SMILES
CC(=O)OC[C@@H]1[C@H](OC[C@@]1(CC2=CC(=C(C=C2)O)OC)O)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C22H26O8/c1-13(23)29-11-16-21(15-5-7-18(25)20(9-15)28-3)30-12-22(16,26)10-14-4-6-17(24)19(8-14)27-2/h4-9,16,21,24-26H,10-12H2,1-3H3/t16-,21-,22-/m1/s1
InChIKey
YCWJRVPTFUUJIS-NPFVIJTESA-N
Synonyms
AKOS025289094
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
106.79
TPSA
114.68
LogP / Solubility
WLOGP
2.34
MLOGP
2.08
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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