CAS RN: 2181-84-2
Isopteleine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251104 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS2181-84-2
- Purity/Analytical Methods: >99.0%
2181-84-2 / 6-methoxy-9-methylfuro[2,3-b]quinolin-4-one
Basic Information
CAS
2181-84-2
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
SMILES
CN1C2=C(C=C(C=C2)OC)C(=O)C3=C1OC=C3
InChI
InChI=1S/C13H11NO3/c1-14-11-4-3-8(16-2)7-10(11)12(15)9-5-6-17-13(9)14/h3-7H,1-2H3
InChIKey
XKTZVOMYVJKQTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
65.51
TPSA
44.37
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.49
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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- CAS RN: 2181-98-8
- Product Code: starshine_CAS2181-98-8
- Purity/Analytical method: >99.0%
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