![CAS 214958-27-7 2-(4-IODOPHENYL)IMIDAZO[1,2-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1665660.gif)
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 |
214958-27-7 / 2-(4-iodophenyl)imidazo[1,2-a]pyridine
Basic Information
CAS
214958-27-7
Multi CAS
No
Molecular Formula
C13H9IN2
Molecular Weight
320.130000
Exact Mass
319.981050
SMILES
C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)I
InChI
InChI=1S/C13H9IN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H
InChIKey
BVUIIVQPNYNNGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.35
TPSA
17.3
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
4.1
Consensus LogP
3.63
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly 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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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