![CAS 214958-32-4 ethyl 6-iodoH-imidazo[1,2-a]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/214958-32-4.gif)
CAS RN: 214958-32-4
ethyl 6-iodoH-imidazo[1,2-a]pyridine-2-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.20250121 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-103044
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
214958-32-4 / ethyl 6-iodoimidazo[1,2-a]pyridine-2-carboxylate
Basic Information
CAS
214958-32-4
Multi CAS
No
Molecular Formula
C10H9IN2O2
Molecular Weight
316.090000
Exact Mass
315.970880
SMILES
CCOC(=O)C1=CN2C=C(C=CC2=N1)I
InChI
InChI=1S/C10H9IN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
InChIKey
TWJHSMVAYMQRTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.87
TPSA
43.6
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
3
Consensus LogP
2.33
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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