![CAS 2114651-27-1 ethyl 1-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2114651-27-1.png)
CAS RN: 2114651-27-1
ethyl 1-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
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.20250617 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-101011
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 | Hong Kong | Inquiry |
2114651-27-1 / ethyl 1-methylpyrrolo[3,2-b]pyridine-6-carboxylate
Basic Information
CAS
2114651-27-1
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
CCOC(=O)C1=CC2=C(C=CN2C)N=C1
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)8-6-10-9(12-7-8)4-5-13(10)2/h4-7H,3H2,1-2H3
InChIKey
LEIJRKJDDNAJHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.67
TPSA
44.12
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.2
Consensus LogP
1.5
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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