CAS RN: 1192040-50-8
1H-Isoindol-1-one, 5,6-difluoro-2,3-dihydro-
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-019703
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1192040-50-8 / 5,6-difluoro-2,3-dihydroisoindol-1-one
5,6-Difluoro-2,3-dihydro-1H-isoindol-1-one | 5,6-Difluoroisoindolin-1-one | 1H-Isoindol-1-one, 5,6-difluoro-2,3-dihydro-
Basic Information
CAS
1192040-50-8
Multi CAS
No
Molecular Formula
C8H5F2NO
Molecular Weight
169.130000
Exact Mass
169.033920
SMILES
C1C2=CC(=C(C=C2C(=O)N1)F)F
InChI
InChI=1S/C8H5F2NO/c9-6-1-4-3-11-8(12)5(4)2-7(6)10/h1-2H,3H2,(H,11,12)
InChIKey
IJOHNPVMHPDBIT-UHFFFAOYSA-N
Synonyms
5,6-Difluoro-2,3-dihydro-1H-isoindol-1-one
5,6-Difluoroisoindolin-1-one
1H-Isoindol-1-one, 5,6-difluoro-2,3-dihydro-
MFCD24617103
5,6-difluoro-2,3-dihydroisoindol-1-one
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
37.53
TPSA
29.1
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
1
Consensus LogP
1.09
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.89
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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