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CAS 2007921-27-7 4,7-dibromo-6-fluoro-2,3-dihydro-1H-indol-2-one molecular structure lightbox
CAS RN: 2007921-27-7

4,7-dibromo-6-fluoro-2,3-dihydro-1H-indol-2-one

  • Product code: SSC-094739
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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 2007921-27-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2007921-27-7 / 4,7-dibromo-6-fluoro-1,3-dihydroindol-2-one

Standard CAS: 2007921-27-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007921-27-7
Multi CAS
No
Molecular Formula
C8H4Br2FNO
Molecular Weight
308.930000
Exact Mass
308.862320
SMILES
C1C2=C(C=C(C(=C2NC1=O)Br)F)Br
InChI
InChI=1S/C8H4Br2FNO/c9-4-2-5(11)7(10)8-3(4)1-6(13)12-8/h2H,1H2,(H,12,13)
InChIKey
XMJZAYJDPGGMTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.13
TPSA
29.1

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.3
Consensus LogP
2.56
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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