![CAS 588720-53-0 Pyrrolo[1,2-a]pyrazine-3-carboxylic acid (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/588720-53-0.gif)
CAS RN: 588720-53-0
Pyrrolo[1,2-a]pyrazine-3-carboxylic acid (9CI)
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.20260423 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS588720-53-0
- Purity/Analytical Methods: >99.0%
588720-53-0 / pyrrolo[1,2-a]pyrazine-3-carboxylic acid
Basic Information
CAS
588720-53-0
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h1-5H,(H,11,12)
InChIKey
WBBAPDMQXJFUOW-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
1
Molar refractivity
42.15
TPSA
54.6
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
1.3
Consensus LogP
1.08
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.98
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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