CAS RN: 1584139-77-4
2H-Indol-2-one, 7-fluoro-1,3-dihydro-3-hydroxy-3-phenyl-
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.20250324 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1584139-77-4
- Purity/Analytical Methods: >99.0%
1584139-77-4 / 7-fluoro-3-hydroxy-3-phenyl-1H-indol-2-one
Basic Information
CAS
1584139-77-4
Multi CAS
No
Molecular Formula
C14H10FNO2
Molecular Weight
243.230000
Exact Mass
243.069557
SMILES
C1=CC=C(C=C1)C2(C3=C(C(=CC=C3)F)NC2=O)O
InChI
InChI=1S/C14H10FNO2/c15-11-8-4-7-10-12(11)16-13(17)14(10,18)9-5-2-1-3-6-9/h1-8,18H,(H,16,17)
InChIKey
YSJMQNSLKBAXPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.47
TPSA
49.33
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
Demethyl calyciphylline A
- CAS RN: 1584236-34-9
- Product Code: starshine_CAS1584236-34-9
- Purity/Analytical method: >99.0%
-
1-(17-Hydroxy-3,6,9,12,15-pentaoxaheptadecyl)-1H-pyrrole-2,5-dione
- CAS RN: 1584544-42-2
- Product Code: SSC-066823
-
(9H-Fluoren-9-yl)MethOxy]Carbonyl Cys(Msbh)-OH
- CAS RN: 1584646-97-8
- Product Code: SSC-066832
-
BMS-983970
- CAS RN: 1584713-87-0
- Product Code: starshine_CAS1584713-87-0
- Purity/Analytical method: >99.0%
-
Inz-5
- CAS RN: 1585214-21-6
- Product Code: starshine_CAS1585214-21-6
- Purity/Analytical method: >99.0%
-
benzyl 4-(sulfaMoylMethyl)piperidine-1-carboxylate
- CAS RN: 1585225-95-1
- Product Code: SSC-066856
![CAS 1584646-97-8 (9H-Fluoren-9-yl)MethOxy]Carbonyl Cys(Msbh)-OH molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1584646-97-8.gif)
