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CAS 100487-74-9 6-Chloro-5-fluoro-2-oxindole molecular structure lightbox
CAS RN: 100487-74-9

6-Chloro-5-fluoro-2-oxindole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-001059
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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: ＞97%
  • 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 100487-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

100487-74-9 / 6-chloro-5-fluoro-1,3-dihydroindol-2-one

6-chloro-5-fluoroindolin-2-one | 6-Chloro-5-fluoro-2-oxindole | MFCD09839325

Standard CAS: 100487-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100487-74-9
Multi CAS
No
Molecular Formula
C8H5ClFNO
Molecular Weight
185.580000
Exact Mass
185.004370
SMILES
C1C2=CC(=C(C=C2NC1=O)Cl)F
InChI
InChI=1S/C8H5ClFNO/c9-5-3-7-4(1-6(5)10)2-8(12)11-7/h1,3H,2H2,(H,11,12)
InChIKey
QDUXBJGXHPPFJG-UHFFFAOYSA-N
Synonyms
6-chloro-5-fluoroindolin-2-one 6-Chloro-5-fluoro-2-oxindole MFCD09839325 6-chloro-5-fluoro-1,3-dihydroindol-2-one 6-CHLORO-5-FLUORO-2-XOINDOLE

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
43.74
TPSA
29.1

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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