![CAS 1000340-27-1 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000340-27-1.gif)
CAS RN: 1000340-27-1
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methyl-
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.20260216 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-000099
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1000340-27-1 / 6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
1000340-27-1 | 6-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid | 6-Methyl-7-azaindole-3-carboxylic acid
Basic Information
CAS
1000340-27-1
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CC1=NC2=C(C=C1)C(=CN2)C(=O)O
InChI
InChI=1S/C9H8N2O2/c1-5-2-3-6-7(9(12)13)4-10-8(6)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
QDLZITJKHXRFDU-UHFFFAOYSA-N
Synonyms
1000340-27-1
6-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
6-Methyl-7-azaindole-3-carboxylic acid
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-methyl-
MFCD09880115
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.79
TPSA
65.98
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.68
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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