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CAS 23439-88-5 2-Hydroxy-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione molecular structure lightbox
CAS RN: 23439-88-5

2-Hydroxy-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 100mg In stock Shanghai Inquiry
Batchno.20250925 1g In stock Shanghai Inquiry
Batchno.20260102 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS23439-88-5
  • Purity/Analytical Methods: >99.0%
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23439-88-5 / 2-hydroxypyrrolo[3,4-c]pyridine-1,3-dione

Standard CAS: 23439-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23439-88-5
Multi CAS
No
Molecular Formula
C7H4N2O3
Molecular Weight
164.120000
Exact Mass
164.022192
SMILES
C1=CN=CC2=C1C(=O)N(C2=O)O
InChI
InChI=1S/C7H4N2O3/c10-6-4-1-2-8-3-5(4)7(11)9(6)12/h1-3,12H
InChIKey
HQQKPLKWXTZTQD-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
-0.7
Consensus LogP
-0.19
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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