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CAS 1261883-04-8 6-(trifluoroMethyl)isoindolin-1-one molecular structure lightbox
CAS RN: 1261883-04-8

6-(trifluoroMethyl)isoindolin-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-033043
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1261883-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1261883-04-8 / 6-(trifluoromethyl)-2,3-dihydroisoindol-1-one

Standard CAS: 1261883-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261883-04-8
Multi CAS
No
Molecular Formula
C9H6F3NO
Molecular Weight
201.140000
Exact Mass
201.040148
SMILES
C1C2=C(C=C(C=C2)C(F)(F)F)C(=O)N1
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-4-13-8(14)7(5)3-6/h1-3H,4H2,(H,13,14)
InChIKey
GZISEIJOJZALPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.61
TPSA
29.1

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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