CAS RN: 1159979-17-5
4H-1-Benzopyran-4-one, 7-fluoro-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: starshine_CAS1159979-17-5
- Purity/Analytical Methods: >99.0%
1159979-17-5 / 7-fluorochromen-4-one
7-Fluoro-4H-chromen-4-one | 7-fluorochromen-4-one | 7-Flourochromone
Basic Information
CAS
1159979-17-5
Multi CAS
Yes
Molecular Formula
C9H5FO2
Molecular Weight
164.130000
Exact Mass
164.027358
SMILES
C1=CC2=C(C=C1F)OC=CC2=O
InChI
InChI=1S/C9H5FO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChIKey
ITJYBKLZZBMQFE-UHFFFAOYSA-N
Synonyms
7-Fluoro-4H-chromen-4-one
7-fluorochromen-4-one
7-Flourochromone
4H-1-Benzopyran-4-one, 7-fluoro-
7-Fluoro-4H-1-benzopyran-4-one
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
42.44
TPSA
30.21
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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
-
4-(bromomethyl)-3-(4-chlorophenyl)-5-methyl-1,2-oxazole
- CAS RN: 1159981-13-1
- Product Code: starshine_CAS1159981-13-1
- Purity/Analytical method: >99.0%
-
-
-
4-BroMo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- CAS RN: 1159982-14-5
- Product Code: SSC-016008
-
Tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
- CAS RN: 1159982-58-7
- Product Code: SSC-016011
-
tert-Butyl 4-(2,2,2-trifluoro-1-aMinoethyl)piperidin-1-carboxylate
- CAS RN: 1159982-64-5
- Product Code: SSC-016012
![CAS 1159981-95-9 5-BROMOPYRAZOLO[1,5-A]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159981-95-9.gif)
![CAS 1159981-96-0 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159981-96-0.gif)
![CAS 1159982-14-5 4-BroMo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159982-14-5.gif)
![CAS 1159982-58-7 Tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159982-58-7.gif)
