CAS RN: 10383-62-7
3-hydroxy-1,2-dimethoxy-anthraquinone
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.20250418 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS10383-62-7
- Purity/Analytical Methods: >99.0%
10383-62-7 / 3-hydroxy-1,2-dimethoxyanthracene-9,10-dione
3-Hydroxy-1,2-dimethoxyanthracene-9,10-dione | 9,10-Anthracenedione, 3-hydroxy-1,2-dimethoxy- | 3-hydroxy-1,2-dimethoxy-anthraquinone
Basic Information
CAS
10383-62-7
Multi CAS
No
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
SMILES
COC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C16H12O5/c1-20-15-11(17)7-10-12(16(15)21-2)14(19)9-6-4-3-5-8(9)13(10)18/h3-7,17H,1-2H3
InChIKey
HVGBWHWYZSXFQX-UHFFFAOYSA-N
Synonyms
3-Hydroxy-1,2-dimethoxyanthracene-9,10-dione
9,10-Anthracenedione, 3-hydroxy-1,2-dimethoxy-
3-hydroxy-1,2-dimethoxy-anthraquinone
Anthragallol 1,2-dimethyl ether
orb1941666
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.52
TPSA
72.83
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2.5
Consensus LogP
2.2
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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