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CAS 1935072-38-0 5H-pyrrolo[2,3-b]pyrazine-3-carboxylic acid molecular structure lightbox
CAS RN: 1935072-38-0

5H-pyrrolo[2,3-b]pyrazine-3-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1935072-38-0
  • Purity/Analytical Methods: >99.0%
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1935072-38-0 / 5H-pyrrolo[2,3-b]pyrazine-3-carboxylic acid

Standard CAS: 1935072-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935072-38-0
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=CNC2=NC(=CN=C21)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-3-9-4-1-2-8-6(4)10-5/h1-3H,(H,8,10)(H,11,12)
InChIKey
ZXRDIRDCONZPNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.85
TPSA
78.87

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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