![CAS 221675-35-0 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221675-35-0.gif)
CAS RN: 221675-35-0
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251109 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-106631
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.25g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
221675-35-0 / ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Basic Information
CAS
221675-35-0
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CCOC(=O)C1=CC2=C(N1)N=CC=C2
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
CBIVEMGUNRNUEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.05
TPSA
54.98
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.65
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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