![CAS 1264193-15-8 ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1264193-15-8.gif)
CAS RN: 1264193-15-8
ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
- Product code: SSC-033536
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 |
1264193-15-8 / ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
Basic Information
CAS
1264193-15-8
Multi CAS
No
Molecular Formula
C9H7BrN2O3
Molecular Weight
271.070000
Exact Mass
269.964000
SMILES
CCOC(=O)C1=NC2=C(O1)C=C(C=N2)Br
InChI
InChI=1S/C9H7BrN2O3/c1-2-14-9(13)8-12-7-6(15-8)3-5(10)4-11-7/h3-4H,2H2,1H3
InChIKey
DLKODISTHUKHJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
55.46
TPSA
65.22
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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