![CAS 941487-89-4 6-BROMO-2-(3-NITRO-PHENYL)-IMIDAZO[1,2-A]PYRIDINE- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9529678.gif)
CAS RN: 941487-89-4
6-BROMO-2-(3-NITRO-PHENYL)-IMIDAZO[1,2-A]PYRIDINE-
- Product code: SSC-208709
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 |
941487-89-4 / 6-bromo-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
Basic Information
CAS
941487-89-4
Multi CAS
No
Molecular Formula
BC13H8O2Rn3
Molecular Weight
318.120000
Exact Mass
316.979990
InChI
InChI=1S/C13H8BrN3O2/c14-10-4-5-13-15-12(8-16(13)7-10)9-2-1-3-11(6-9)17(18)19/h1-8H
InChIKey
FECITZPXKWPMKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.98
TPSA
60.44
LogP / Solubility
WLOGP
3.67
MLOGP
3.25
XLogP3
3.9
Consensus LogP
3.61
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-2.05
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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