CAS RN: 1435934-53-4
Azadibenzocyclooctyne-CONH-N-hydroxysuccinimidyl ester
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260415 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250928 | 10mg | Out of stock | Inquiry | ||
| Batchno.20250521 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250707 | 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260101 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250211 | 50mg | Out of stock | Inquiry |
- Product code: SSC-054995
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1435934-53-4 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyldisulfanyl]propanoate
Basic Information
CAS
1435934-53-4
Multi CAS
No
Molecular Formula
C28H27N3O6S2
Molecular Weight
565.700000
Exact Mass
565.134128
SMILES
C1CC(=O)N(C1=O)OC(=O)CCSSCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C28H27N3O6S2/c32-24(29-16-18-39-38-17-15-28(36)37-31-26(34)13-14-27(31)35)11-12-25(33)30-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)30/h1-8H,11-19H2,(H,29,32)
InChIKey
RPNGUSKTYYIUDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
1
Molar refractivity
149.01
TPSA
113.09
LogP / Solubility
WLOGP
3.21
MLOGP
2.87
XLogP3
1.7
Consensus LogP
2.59
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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