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CAS 2144395-59-3 DBCO-PEG5-NHS ester molecular structure lightbox
CAS RN: 2144395-59-3

DBCO-PEG5-NHS ester

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 100mg In stock Shanghai Inquiry
Batchno.20260124 10mg In stock Shanghai Inquiry
Batchno.20250822 1mg In stock Shanghai Inquiry
Batchno.20250228 25mg In stock Shanghai Inquiry
Batchno.20260225 50mg In stock Shanghai Inquiry
Batchno.20250323 50mg In stock Shanghai Inquiry
Batchno.20250701 5mg In stock Shanghai Inquiry
  • Product code: SSC-102811
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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: 0.1g
  • 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 2144395-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

2144395-59-3 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2144395-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2144395-59-3
Multi CAS
No
Molecular Formula
C36H43N3O11
Molecular Weight
693.700000
Exact Mass
693.289759
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C36H43N3O11/c40-32(11-12-33(41)38-27-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)38)37-16-18-46-20-22-48-24-26-49-25-23-47-21-19-45-17-15-36(44)50-39-34(42)13-14-35(39)43/h1-8H,11-27H2,(H,37,40)
InChIKey
OYNJSALGAVUYGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
22
H-bond acceptors
11
H-bond donors
1
Molar refractivity
178.19
TPSA
159.24

LogP / Solubility

WLOGP
1.91
MLOGP
1.74
XLogP3
0.3
Consensus LogP
1.32
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-5.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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