CAS RN: 1393350-27-0
DBCO-(CH2)2-NH2-CO-(CH2)3COOH-NHS
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250514 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250912 | 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251028 | 1g | Out of stock | Inquiry | ||
| Batchno.20260626 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250408 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250930 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-049788
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: 0.1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
1393350-27-0 / (2,5-dioxopyrrolidin-1-yl) 5-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoate
Basic Information
CAS
1393350-27-0
Multi CAS
No
Molecular Formula
C24H20N2O5
Molecular Weight
416.400000
Exact Mass
416.137222
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C24H20N2O5/c27-21(10-5-11-24(30)31-26-22(28)14-15-23(26)29)25-16-19-8-2-1-6-17(19)12-13-18-7-3-4-9-20(18)25/h1-4,6-9H,5,10-11,14-16H2
InChIKey
CFQHVJJWCDJMLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
111.08
TPSA
83.99
LogP / Solubility
WLOGP
2.71
MLOGP
2.41
XLogP3
2.1
Consensus LogP
2.41
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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
Yes
Log Kp (skin permeation)
-3.34
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
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