![CAS 1303968-43-5 3-Bromo-7H-furo[3,4-b]pyridin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1303968-43-5.gif)
CAS RN: 1303968-43-5
3-Bromo-7H-furo[3,4-b]pyridin-5-one
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.20250505 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1303968-43-5
- Purity/Analytical Methods: >99.0%
1303968-43-5 / 3-bromo-7H-furo[3,4-b]pyridin-5-one
Basic Information
CAS
1303968-43-5
Multi CAS
No
Molecular Formula
C7H4BrNO2
Molecular Weight
214.020000
Exact Mass
212.942540
SMILES
C1C2=C(C=C(C=N2)Br)C(=O)O1
InChI
InChI=1S/C7H4BrNO2/c8-4-1-5-6(9-2-4)3-11-7(5)10/h1-2H,3H2
InChIKey
ROPDGXSXHXWJFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
41.06
TPSA
39.19
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1
Consensus LogP
1.28
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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