CAS RN: 55317-02-7
2-METHOXY-1-(2,4,6-TRIHYDROXYPHENYL)ETHANONE
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.20251002 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55317-02-7
- Purity/Analytical Methods: >99.0%
55317-02-7 / 2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
Basic Information
CAS
55317-02-7
Multi CAS
No
Molecular Formula
C9H10O5
Molecular Weight
198.170000
Exact Mass
198.052823
InChI
InChI=1S/C9H10O5/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,10-12H,4H2,1H3
InChIKey
FYRXXSCCOWRCLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
47.64
TPSA
86.99
LogP / Solubility
WLOGP
0.63
MLOGP
0.56
XLogP3
1
Consensus LogP
0.73
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 55319-36-3 (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,12aR,14aS,14bR)-9-hydro xy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8 ,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5 -dihydroxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy -oxan-2-yl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55319-36-3.gif)
