CAS RN: 1260385-74-7
5-AMino-7-azaindole-2-carboxylic acid
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.20250224 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260385-74-7
- Purity/Analytical Methods: >99.0%
1260385-74-7 / 5-amino-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Basic Information
CAS
1260385-74-7
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
C1=C2C=C(NC2=NC=C1N)C(=O)O
InChI
InChI=1S/C8H7N3O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey
VWHLUZNJRYXVRE-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
3
Molar refractivity
47.47
TPSA
92
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.5
Consensus LogP
0.69
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
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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![CAS 1260386-47-7 6-BroMo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260386-47-7.gif)