CAS RN: 1309685-08-2
2H-Indol-2-one, 6-chloro-4-fluoro-1,3-dihydro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251225 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1309685-08-2
- Purity/Analytical Methods: >99.0%
1309685-08-2 / 6-chloro-4-fluoro-1,3-dihydroindol-2-one
Basic Information
CAS
1309685-08-2
Multi CAS
No
Molecular Formula
C8H5ClFNO
Molecular Weight
185.580000
Exact Mass
185.004370
SMILES
C1C2=C(C=C(C=C2F)Cl)NC1=O
InChI
InChI=1S/C8H5ClFNO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12)
InChIKey
VLPCMBIVGZBXAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.74
TPSA
29.1
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.45
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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