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CAS 1255942-08-5 DBCO-PEG4-amine molecular structure lightbox
CAS RN: 1255942-08-5

DBCO-PEG4-amine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260329 10mg In stock Shanghai Inquiry
Batchno.20251016 10mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250907 250mg In stock Shanghai Inquiry
Batchno.20260405 25mg In stock Shanghai Inquiry
Batchno.20250830 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-030355
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1255942-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1255942-08-5 / 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]propanamide

Standard CAS: 1255942-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255942-08-5
Multi CAS
No
Molecular Formula
C29H37N3O6
Molecular Weight
523.600000
Exact Mass
523.268236
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCN
InChI
InChI=1S/C29H37N3O6/c30-13-16-36-18-20-38-22-21-37-19-17-35-15-12-28(33)31-14-11-29(34)32-23-26-7-2-1-5-24(26)9-10-25-6-3-4-8-27(25)32/h1-8H,11-23,30H2,(H,31,33)
InChIKey
KTIOBJVNCOFWCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
2
Molar refractivity
144.63
TPSA
112.35

LogP / Solubility

WLOGP
1.85
MLOGP
1.67
XLogP3
0.5
Consensus LogP
1.34
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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