![CAS 2250241-78-0 7-chloropyrrolo[1,2-a]pyrazine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2250241-78-0.gif)
CAS RN: 2250241-78-0
7-chloropyrrolo[1,2-a]pyrazine-3-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2250241-78-0
- Purity/Analytical Methods: >99.0%
2250241-78-0 / 7-chloropyrrolo[1,2-a]pyrazine-3-carboxylic acid
Basic Information
CAS
2250241-78-0
Multi CAS
No
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=C2C=NC(=CN2C=C1Cl)C(=O)O
InChI
InChI=1S/C8H5ClN2O2/c9-5-1-6-2-10-7(8(12)13)4-11(6)3-5/h1-4H,(H,12,13)
InChIKey
GLEKTBOZIJYRMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.16
TPSA
54.6
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
1.9
Consensus LogP
1.69
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
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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