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CAS 51108-30-6 4-chloroisoindole-1,3-dione molecular structure lightbox
CAS RN: 51108-30-6

4-chloroisoindole-1,3-dione

  • Product code: SSC-157894
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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: ＞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 51108-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

51108-30-6 / 4-chloroisoindole-1,3-dione

Standard CAS: 51108-30-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51108-30-6
Multi CAS
Yes
Molecular Formula
C8H4CLNO2
Molecular Weight
181.570000
Exact Mass
180.993056
InChI
InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)8(12)10-7(4)11/h1-3H,(H,10,11,12)
InChIKey
APOAEMIYHVGWEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.25
TPSA
46.17

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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