CAS RN: 1190322-32-7
5-Methoxy-7-azaindole-4-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.20260618 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190322-32-7
- Purity/Analytical Methods: >99.0%
1190322-32-7 / 5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid | MFCD12962882 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-methoxy-
Basic Information
CAS
1190322-32-7
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC1=CN=C2C(=C1C(=O)O)C=CN2
InChI
InChI=1S/C9H8N2O3/c1-14-6-4-11-8-5(2-3-10-8)7(6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
KVBGCFHCPOVTAV-UHFFFAOYSA-N
Synonyms
5-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
MFCD12962882
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-methoxy-
SB14283
AS-80016
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.61
TPSA
75.21
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.99
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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