CAS RN: 90846-59-6
2,3-DI-FURAN-2-YL-QUINOXALINE-6-CARBOXYLIC ACID
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS90846-59-6
- Purity/Analytical Methods: >99.0%
90846-59-6 / 2,3-bis(furan-2-yl)quinoxaline-6-carboxylic acid
Basic Information
CAS
90846-59-6
Multi CAS
No
Molecular Formula
C17H10N2O4
Molecular Weight
306.270000
Exact Mass
306.064057
InChI
InChI=1S/C17H10N2O4/c20-17(21)10-5-6-11-12(9-10)19-16(14-4-2-8-23-14)15(18-11)13-3-1-7-22-13/h1-9H,(H,20,21)
InChIKey
XDEQHYWMTHWMQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.9
TPSA
89.36
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
2.3
Consensus LogP
3.18
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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