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CAS 835616-61-0 2-(2,6-Dioxopiperidin-3-yl)-5-fluoroisoindoline-1,3-dione molecular structure lightbox
CAS RN: 835616-61-0

2-(2,6-Dioxopiperidin-3-yl)-5-fluoroisoindoline-1,3-dione

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 100g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260330 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250219 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250404 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260505 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250920 500g In stock Shanghai Inquiry
Batchno.20260207 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-191341
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 10g, 100g, 25g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 835616-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
100g >95% 1 In Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry
500g >95% 0 Out of Stock Shenzhen Inquiry

835616-61-0 / 2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

Standard CAS: 835616-61-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
835616-61-0
Multi CAS
Yes
Molecular Formula
C13FH9N2O4
Molecular Weight
276.220000
Exact Mass
276.054635
InChI
InChI=1S/C13H9FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
InChIKey
MPQLCQKBYRSPNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.07
TPSA
83.55

LogP / Solubility

WLOGP
0.23
MLOGP
0.21
XLogP3
0.4
Consensus LogP
0.28
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-4.24

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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