CAS RN: 2065250-25-9
DAAO inhibitor-1
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
- Product code: starshine_CAS2065250-25-9
- Purity/Analytical Methods: >99.0%
2065250-25-9 / 6-fluoro-1,2-dihydroindazol-3-one
Basic Information
CAS
2065250-25-9
Multi CAS
No
Molecular Formula
C7H5FN2O
Molecular Weight
152.130000
Exact Mass
152.038591
SMILES
C1=CC2=C(C=C1F)NNC2=O
InChI
InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,(H2,9,10,11)
InChIKey
KBPHAHZMJXVUPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
38.88
TPSA
48.65
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
1.3
Consensus LogP
1.06
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1H-Indazol-5-ol, 3-iodo-1-(tetrahydro-2H-pyran-2-yl)-
- CAS RN: 2066567-78-8
- Product Code: SSC-097352
-
6-chloro-2,3-dimethyl-2H-pyrazolo[3,4-b]pyridine
- CAS RN: 2067257-98-9
- Product Code: starshine_CAS2067257-98-9
- Purity/Analytical method: >99.0%
-
Soyasapogenol A 21-O-α-L-rhamnopyranoside
- CAS RN: 2067321-88-2
- Product Code: starshine_CAS2067321-88-2
- Purity/Analytical method: >99.0%
-
-
Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4-bromo-6-methoxy-
- CAS RN: 2068065-03-0
- Product Code: starshine_CAS2068065-03-0
- Purity/Analytical method: >99.0%
-
4-bromo-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
- CAS RN: 2068065-05-2
- Product Code: SSC-097394
![CAS 2067257-98-9 6-chloro-2,3-dimethyl-2H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2067257-98-9.png)
![CAS 2068065-03-0 Pyrazolo[1,5-a]pyridine-3-carboxaldehyde, 4-bromo-6-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2068065-03-0.png)
![CAS 2068065-05-2 4-bromo-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2068065-05-2.png)