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CAS 2353410-02-1 DBCO-PEG4-triethoxysilane molecular structure lightbox
CAS RN: 2353410-02-1

DBCO-PEG4-triethoxysilane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 1mg Out of stock 15 business days Inquiry
  • Product code: SSC-114067
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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 2353410-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

2353410-02-1 / 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxo-N-[2-[2-[2-[2-[3-oxo-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

Standard CAS: 2353410-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2353410-02-1
Multi CAS
No
Molecular Formula
C39H57N3O10Si
Molecular Weight
756.000000
Exact Mass
755.381322
SMILES
CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)(OCC)OCC
InChI
InChI=1S/C39H57N3O10Si/c1-4-50-53(51-5-2,52-6-3)31-11-21-40-38(44)20-23-46-25-27-48-29-30-49-28-26-47-24-22-41-37(43)18-19-39(45)42-32-35-14-8-7-12-33(35)16-17-34-13-9-10-15-36(34)42/h7-10,12-15H,4-6,11,18-32H2,1-3H3,(H,40,44)(H,41,43)
InChIKey
BVPATRYMIHMPFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
28
H-bond acceptors
10
H-bond donors
2
Molar refractivity
203.26
TPSA
143.12

LogP / Solubility

WLOGP
3.84
MLOGP
3.45
XLogP3
3.84
Consensus LogP
3.71
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-4.6

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

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