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CAS 40313-92-6 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-methyl- molecular structure lightbox
CAS RN: 40313-92-6

1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-methyl-

  • Product code: SSC-148452
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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 40313-92-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

40313-92-6 / 2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione

Standard CAS: 40313-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40313-92-6
Multi CAS
No
Molecular Formula
C14H12N2O4
Molecular Weight
272.260000
Exact Mass
272.079707
InChI
InChI=1S/C14H12N2O4/c1-7-2-3-8-9(6-7)14(20)16(13(8)19)10-4-5-11(17)15-12(10)18/h2-3,6,10H,4-5H2,1H3,(H,15,17,18)
InChIKey
FIRKPGPRAMCBHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.85
TPSA
83.55

LogP / Solubility

WLOGP
0.4
MLOGP
0.36
XLogP3
0.7
Consensus LogP
0.49
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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