CAS RN: 19171-18-7
2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-089775
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, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
19171-18-7 / 2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindole-1,3-dione
Basic Information
CAS
19171-18-7
Multi CAS
No
Molecular Formula
C13H9N3O6
Molecular Weight
303.230000
Exact Mass
303.049135
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O6/c17-9-5-4-8(11(18)14-9)15-12(19)6-2-1-3-7(16(21)22)10(6)13(15)20/h1-3,8H,4-5H2,(H,14,17,18)
InChIKey
KVRCAGKHAZRSQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
69.77
TPSA
126.69
LogP / Solubility
MLOGP
0.01
XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.87
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)
-4.57
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
3
Applications of CAS 19171-18-7
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 19171-18-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
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