![CAS 20958-17-2 4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20958-17-2.gif)
CAS RN: 20958-17-2
4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione
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.20250827 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20958-17-2
- Purity/Analytical Methods: >99.0%
20958-17-2 / 4,8-dimethylnaphtho[2,1-f][1]benzofuran-7,11-dione
Basic Information
CAS
20958-17-2
Multi CAS
No
Molecular Formula
C18H12O3
Molecular Weight
276.300000
Exact Mass
276.078644
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C
InChI
InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-8H,1-2H3
InChIKey
XYKZSUXWBGUGQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
79
TPSA
47.28
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
4.2
Consensus LogP
3.8
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly 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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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