![CAS 1907298-01-4 tert-butyl imidazo[1,2-a]pyridin-2-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1907298-01-4.gif)
CAS RN: 1907298-01-4
tert-butyl imidazo[1,2-a]pyridin-2-ylcarbamate
- Product code: SSC-089262
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 | Beijing | Inquiry |
1907298-01-4 / tert-butyl N-imidazo[1,2-a]pyridin-2-ylcarbamate
Basic Information
CAS
1907298-01-4
Multi CAS
No
Molecular Formula
C12H15N3O2
Molecular Weight
233.270000
Exact Mass
233.116427
SMILES
CC(C)(C)OC(=O)NC1=CN2C=CC=CC2=N1
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)14-9-8-15-7-5-4-6-10(15)13-9/h4-8H,1-3H3,(H,14,16)
InChIKey
RZQCOVJVYYLOQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.05
TPSA
55.63
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
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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![CAS 1908437-58-0 “(4R,4’R,5S,5’S)- 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4,5-diphenyl-Oxazole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1908437-58-0.gif)
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