[email protected]
CAS 197067-27-9 3,3-difluoro-1,3-dihydro-2H-Indol-2-one molecular structure lightbox
CAS RN: 197067-27-9

3,3-difluoro-1,3-dihydro-2H-Indol-2-one

  • Product code: SSC-092953
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197067-27-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry

197067-27-9 / 3,3-difluoro-1H-indol-2-one

Standard CAS: 197067-27-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197067-27-9
Multi CAS
No
Molecular Formula
C8H5F2NO
Molecular Weight
169.130000
Exact Mass
169.033920
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(F)F
InChI
InChI=1S/C8H5F2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12)
InChIKey
AORVPBLZSJVLCI-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
38.97
TPSA
29.1

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.52

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

Get In Touch

Contact Us