CAS RN: 1215751-27-1
Physcion-d3
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.20250820 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1215751-27-1
- Purity/Analytical Methods: >99.0%
1215751-27-1 / 1,8-dihydroxy-3-methyl-6-(trideuteriomethoxy)anthracene-9,10-dione
Basic Information
CAS
1215751-27-1
Multi CAS
No
Molecular Formula
C16H12O5
Molecular Weight
287.280000
Exact Mass
287.087304
SMILES
[2H]C([2H])([2H])OC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C
InChI
InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3/i2D3
InChIKey
FFWOKTFYGVYKIR-BMSJAHLVSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.37
TPSA
83.83
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
3
Consensus LogP
2.38
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
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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