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CAS 1427004-19-0 DBCO-PEG4-NHS Ester molecular structure lightbox
CAS RN: 1427004-19-0

DBCO-PEG4-NHS Ester

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 100mg In stock Shanghai Inquiry
Batchno.20250305 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250416 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260701 50mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250617 5g In stock Shanghai Inquiry
  • Product code: SSC-053511
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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 1427004-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1427004-19-0 / (2,5-dioxopyrrolidin-1-yl) 3-[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]propanoate

Standard CAS: 1427004-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427004-19-0
Multi CAS
No
Molecular Formula
C34H39N3O10
Molecular Weight
649.700000
Exact Mass
649.263544
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C34H39N3O10/c38-30(11-12-31(39)36-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)36)35-16-18-44-20-22-46-24-23-45-21-19-43-17-15-34(42)47-37-32(40)13-14-33(37)41/h1-8H,11-25H2,(H,35,38)
InChIKey
RRCXYKNJTKJNTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
19
H-bond acceptors
10
H-bond donors
1
Molar refractivity
167.37
TPSA
150.01

LogP / Solubility

WLOGP
1.89
MLOGP
1.72
XLogP3
0.4
Consensus LogP
1.34
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
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)
-5.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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