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CAS 2149585-17-9 DNP-PEG4-DBCO molecular structure lightbox
CAS RN: 2149585-17-9

DNP-PEG4-DBCO

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250315 100mg In stock Inquiry
Batchno.20250814 1mg Out of stock Inquiry
Batchno.20250426 25mg In stock Inquiry
Batchno.20250706 50mg In stock Inquiry
Batchno.20260226 5mg In stock Inquiry
  • Product code: SSC-103045
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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 2149585-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Hong Kong Inquiry

2149585-17-9 / N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-(2,4-dinitroanilino)ethoxy]ethoxy]ethoxy]ethoxy]propanamide

Standard CAS: 2149585-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2149585-17-9
Multi CAS
No
Molecular Formula
C35H39N5O10
Molecular Weight
689.700000
Exact Mass
689.269692
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C35H39N5O10/c41-34(37-15-13-35(42)38-26-29-7-2-1-5-27(29)9-10-28-6-3-4-8-32(28)38)14-17-47-19-21-49-23-24-50-22-20-48-18-16-36-31-12-11-30(39(43)44)25-33(31)40(45)46/h1-8,11-12,25,36H,13-24,26H2,(H,37,41)
InChIKey
QEBKLLLFFHAWSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
21
H-bond acceptors
11
H-bond donors
2
Molar refractivity
183.81
TPSA
184.64

LogP / Solubility

WLOGP
3.82
MLOGP
3.42
XLogP3
3.4
Consensus LogP
3.55
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
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)
-4.21

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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