![CAS 23439-87-4 6-HYDROXY-PYRROLO[3,4-B]PYRIDINE-5,7-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23439-87-4.gif)
CAS RN: 23439-87-4
6-HYDROXY-PYRROLO[3,4-B]PYRIDINE-5,7-DIONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260507 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23439-87-4
- Purity/Analytical Methods: >99.0%
23439-87-4 / 6-hydroxypyrrolo[3,4-b]pyridine-5,7-dione
Basic Information
CAS
23439-87-4
Multi CAS
No
Molecular Formula
C7H4N2O3
Molecular Weight
164.120000
Exact Mass
164.022192
SMILES
C1=CC2=C(C(=O)N(C2=O)O)N=C1
InChI
InChI=1S/C7H4N2O3/c10-6-4-2-1-3-8-5(4)7(11)9(6)12/h1-3,12H
InChIKey
XCLIICWPGQIRDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.52
TPSA
70.5
LogP / Solubility
WLOGP
0.07
MLOGP
0.05
XLogP3
-0.3
Consensus LogP
-0.06
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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