CAS RN: 1007455-25-5
1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-6-hydroxy-
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.20250216 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1007455-25-5
- Purity/Analytical Methods: >99.0%
1007455-25-5 / 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
5-FLUORO-6-HYDROXYISOINDOLIN-1-ONE | 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one | 1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-6-hydroxy-
Basic Information
CAS
1007455-25-5
Multi CAS
No
Molecular Formula
C8H6FNO2
Molecular Weight
167.140000
Exact Mass
167.038257
SMILES
C1C2=CC(=C(C=C2C(=O)N1)O)F
InChI
InChI=1S/C8H6FNO2/c9-6-1-4-3-10-8(12)5(4)2-7(6)11/h1-2,11H,3H2,(H,10,12)
InChIKey
XDCZVYFOCSBMCW-UHFFFAOYSA-N
Synonyms
5-FLUORO-6-HYDROXYISOINDOLIN-1-ONE
5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
1H-Isoindol-1-one, 5-fluoro-2,3-dihydro-6-hydroxy-
MFCD12924344
5-Fluoro-6-hydroxy-2,3-dihydro-1H-isoindol-1-one
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.24
TPSA
49.33
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
0.5
Consensus LogP
0.65
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-3.19
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-Isoindol-1-one, 7-fluoro-2,3-dihydro-6-Methoxy-
- CAS RN: 1007455-31-3
- Product Code: SSC-001450
-
5′-hydroxy-Spiro[cyclopropane-1,1′-[1H]isoindol]-3′(2’H)-one
- CAS RN: 1007455-36-8
- Product Code: starshine_CAS1007455-36-8
- Purity/Analytical method: >99.0%
-
-
-
GDLMLQJISATCEL-UHFFFAOYSA-M
- CAS RN: 1007476-63-2
- Product Code: starshine_CAS1007476-63-2
- Purity/Analytical method: >99.0%
![CAS 1007455-36-8 5′-hydroxy-Spiro[cyclopropane-1,1′-[1H]isoindol]-3′(2’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007455-36-8.gif)
