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CAS 1000341-00-3 6-BROMO-4-FLUORO-2-OXYINDOLE molecular structure lightbox
CAS RN: 1000341-00-3

6-BROMO-4-FLUORO-2-OXYINDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-000121
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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: 5g
  • 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 1000341-00-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1000341-00-3 / 6-bromo-4-fluoro-1,3-dihydroindol-2-one

6-Bromo-4-fluoroindolin-2-one | 1000341-00-3 | 6-Bromo-4-fluoro-2-oxyindole

Standard CAS: 1000341-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000341-00-3
Multi CAS
Yes
Molecular Formula
C8H5BrFNO
Molecular Weight
230.030000
Exact Mass
228.953850
SMILES
C1C2=C(C=C(C=C2F)Br)NC1=O
InChI
InChI=1S/C8H5BrFNO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12)
InChIKey
UNVVSMMNEZBZDQ-UHFFFAOYSA-N
Synonyms
6-Bromo-4-fluoroindolin-2-one 1000341-00-3 6-Bromo-4-fluoro-2-oxyindole 6-bromo-4-fluoro-indolin-2-one MFCD09880178

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
46.43
TPSA
29.1

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
1.6
Consensus LogP
1.84
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.64

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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