![CAS 1353016-71-3 4-[(5-aza-3,4:7,8-dibenzocyclooctan-1-yne)-5-yl]-4-oxobutyrate-n-succinimide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1353016-71-3.png)
CAS RN: 1353016-71-3
4-[(5-aza-3,4:7,8-dibenzocyclooctan-1-yne)-5-yl]-4-oxobutyrate-n-succinimide
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 100mg | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260202 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251209 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251117 | 1g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250918 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251118 | 250mg | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20251025 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260205 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 50mg | In stock | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20251216 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250430 | 5g | In stock | Shandong, Guangdong | Inquiry |
| Batchno.20260417 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-043497
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 4 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
1353016-71-3 / (2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate
Basic Information
CAS
1353016-71-3
Multi CAS
No
Molecular Formula
C23H18N2O5
Molecular Weight
402.400000
Exact Mass
402.121572
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C23H18N2O5/c26-20(13-14-23(29)30-25-21(27)11-12-22(25)28)24-15-18-7-2-1-5-16(18)9-10-17-6-3-4-8-19(17)24/h1-8H,11-15H2
InChIKey
XCEBOJWFQSQZKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
106.47
TPSA
83.99
LogP / Solubility
WLOGP
2.32
MLOGP
2.07
XLogP3
1.7
Consensus LogP
2.03
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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