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CAS 5388-42-1 2,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-OXO-ISOINDOLINE molecular structure lightbox
CAS RN: 5388-42-1

2,3-DIHYDRO-2-PHENYL-1H-ISOINDOL-1-OXO-ISOINDOLINE

  • Product code: SSC-161279
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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 5388-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

5388-42-1 / 2-phenyl-3H-isoindol-1-one

Standard CAS: 5388-42-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5388-42-1
Multi CAS
Yes
Molecular Formula
C14H11NO
Molecular Weight
209.240000
Exact Mass
209.084064
InChI
InChI=1S/C14H11NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKey
FIWLYGQHSKZFAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
63.4
TPSA
20.31

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

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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