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CAS 1092350-06-5 4-Bromo-5-fluoro-7-methylindoline-2,3-dione molecular structure lightbox
CAS RN: 1092350-06-5

4-Bromo-5-fluoro-7-methylindoline-2,3-dione

  • Product code: SSC-010376
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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 1092350-06-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1092350-06-5 / 4-bromo-5-fluoro-7-methyl-1H-indole-2,3-dione

4-Bromo-5-fluoro-7-methylindoline-2,3-dione | 4-Bromo-5-fluoro-7-methyl isatin | MFCD11100165

Standard CAS: 1092350-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092350-06-5
Multi CAS
No
Molecular Formula
C9H5BrFNO2
Molecular Weight
258.040000
Exact Mass
256.948770
SMILES
CC1=CC(=C(C2=C1NC(=O)C2=O)Br)F
InChI
InChI=1S/C9H5BrFNO2/c1-3-2-4(11)6(10)5-7(3)12-9(14)8(5)13/h2H,1H3,(H,12,13,14)
InChIKey
GICXJQGLDMHWKA-UHFFFAOYSA-N
Synonyms
4-Bromo-5-fluoro-7-methylindoline-2,3-dione 4-Bromo-5-fluoro-7-methyl isatin MFCD11100165 SCHEMBL3738556 AC2882

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.8
TPSA
46.17

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

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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