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CAS 74572-30-8 4,6-dichloroisoindolin-1-one molecular structure lightbox
CAS RN: 74572-30-8

4,6-dichloroisoindolin-1-one

  • Product code: SSC-184020
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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 74572-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

74572-30-8 / 4,6-dichloro-2,3-dihydroisoindol-1-one

Standard CAS: 74572-30-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74572-30-8
Multi CAS
Yes
Molecular Formula
C8H5CL2NO
Molecular Weight
202.030000
Exact Mass
200.974819
InChI
InChI=1S/C8H5Cl2NO/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3H2,(H,11,12)
InChIKey
QQNMVGPIDSWXTK-UHFFFAOYSA-N

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
47.63
TPSA
29.1

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.36

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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