![CAS 68302-51-2 2-AMINO-7-ETHYL-5-OXO-5H-CHROMENO[2,3-b]PYRIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68302-51-2.gif)
CAS RN: 68302-51-2
2-AMINO-7-ETHYL-5-OXO-5H-CHROMENO[2,3-b]PYRIDINE-3-CARBOXYLIC ACID
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.20250209 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS68302-51-2
- Purity/Analytical Methods: >99.0%
68302-51-2 / 2-amino-7-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
Basic Information
CAS
68302-51-2
Multi CAS
No
Molecular Formula
C15H12N2O4
Molecular Weight
284.270000
Exact Mass
284.079707
InChI
InChI=1S/C15H12N2O4/c1-2-7-3-4-11-8(5-7)12(18)9-6-10(15(19)20)13(16)17-14(9)21-11/h3-6H,2H2,1H3,(H2,16,17)(H,19,20)
InChIKey
RMDTUBSCQYVNJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.53
TPSA
106.42
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2.8
Consensus LogP
2.3
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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