![CAS 85547-22-4 8,9-DIMETHOXY-1H-BENZO[DE][1,6]NAPHTHYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85547-22-4.gif)
CAS RN: 85547-22-4
8,9-DIMETHOXY-1H-BENZO[DE][1,6]NAPHTHYRIDINE
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.20260325 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS85547-22-4
- Purity/Analytical Methods: >99.0%
85547-22-4 / 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene
Basic Information
CAS
85547-22-4
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
InChI
InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3
InChIKey
IVXSXOFPZFVZTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.5
TPSA
43.38
LogP / Solubility
WLOGP
2.65
MLOGP
2.33
XLogP3
2.2
Consensus LogP
2.39
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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