![CAS 1256790-95-0 3-fluoro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256790-95-0.gif)
CAS RN: 1256790-95-0
3-fluoro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256790-95-0
- Purity/Analytical Methods: >99.0%
1256790-95-0 / 3-fluoro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
Basic Information
CAS
1256790-95-0
Multi CAS
No
Molecular Formula
C7H5FN2O
Molecular Weight
152.130000
Exact Mass
152.038591
SMILES
C1C2=C(C=C(C=N2)F)C(=O)N1
InChI
InChI=1S/C7H5FN2O/c8-4-1-5-6(9-2-4)3-10-7(5)11/h1-2H,3H2,(H,10,11)
InChIKey
QWOHKJUXBQYHHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.37
TPSA
41.99
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
-0.2
Consensus LogP
0.22
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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