[email protected]
CAS 60506-35-6 2-(2,4-DINITRO-PHENOXY)-ISOINDOLE-1,3-DIONE molecular structure lightbox
CAS RN: 60506-35-6

2-(2,4-DINITRO-PHENOXY)-ISOINDOLE-1,3-DIONE

  • Product code: SSC-169102
GET A QUOTE
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
Request Bulk Quote

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 60506-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

60506-35-6 / 2-(2,4-dinitrophenoxy)isoindole-1,3-dione

Standard CAS: 60506-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60506-35-6
Multi CAS
No
Molecular Formula
C14H7N3O7
Molecular Weight
329.220000
Exact Mass
329.028400
InChI
InChI=1S/C14H7N3O7/c18-13-9-3-1-2-4-10(9)14(19)15(13)24-12-6-5-8(16(20)21)7-11(12)17(22)23/h1-7H
InChIKey
FQMFEIJLRJXTSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
77.32
TPSA
132.89

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us