![CAS 1190315-60-6 methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190315-60-6.gif)
CAS RN: 1190315-60-6
methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1190315-60-6
- Purity/Analytical Methods: >99.0%
1190315-60-6 / methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate | MFCD12962741 | methyl6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Basic Information
CAS
1190315-60-6
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
COC(=O)C1=CC(=NC2=C1C=CN2)N
InChI
InChI=1S/C9H9N3O2/c1-14-9(13)6-4-7(10)12-8-5(6)2-3-11-8/h2-4H,1H3,(H3,10,11,12)
InChIKey
MPVUUZFHLQEVBE-UHFFFAOYSA-N
Synonyms
methyl 6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
MFCD12962741
methyl6-amino-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
DTXSID901209973
AKOS027424471
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.85
TPSA
81
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.8
Consensus LogP
0.85
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.22
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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6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
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- Product Code: SSC-019366
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6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
- CAS RN: 1190315-79-7
- Product Code: SSC-019370
![CAS 1190315-68-4 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190315-68-4.gif)
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