![CAS 5876-17-5 4,8-Dimethoxyfuro[2,3-b]quinolin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5876-17-5.gif)
CAS RN: 5876-17-5
4,8-Dimethoxyfuro[2,3-b]quinolin-7-ol
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS5876-17-5
- Purity/Analytical Methods: >99.0%
5876-17-5 / 4,8-dimethoxyfuro[2,3-b]quinolin-7-ol
Basic Information
CAS
5876-17-5
Multi CAS
Yes
Molecular Formula
C13H11NO4
Molecular Weight
245.230000
Exact Mass
245.068808
InChI
InChI=1S/C13H11NO4/c1-16-11-7-3-4-9(15)12(17-2)10(7)14-13-8(11)5-6-18-13/h3-6,15H,1-2H3
InChIKey
LJKPBWHZRNQEMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.28
TPSA
64.72
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.5
Consensus LogP
2.53
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.3
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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