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CAS 2765066-36-0 DBCO-PEG24-acid molecular structure lightbox
CAS RN: 2765066-36-0

DBCO-PEG24-acid

  • Product code: SSC-127728
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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 2765066-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2765066-36-0 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2765066-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2765066-36-0
Multi CAS
No
Molecular Formula
C70H116N2O28
Molecular Weight
1433.700000
Exact Mass
1432.771461
InChI
InChI=1S/C70H116N2O28/c73-68(11-12-69(74)72-63-66-7-2-1-5-64(66)9-10-65-6-3-4-8-67(65)72)71-14-16-78-18-20-80-22-24-82-26-28-84-30-32-86-34-36-88-38-40-90-42-44-92-46-48-94-50-52-96-54-56-98-58-60-100-62-61-99-59-57-97-55-53-95-51-49-93-47-45-91-43-41-89-39-37-87-35-33-85-31-29-83-27-25-81-23-21-79-19-17-77-15-13-70(75)76/h1-8H,11-63H2,(H,71,73)(H,75,76)
InChIKey
UQDUEOCZBDBAER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
100
Aromatic heavy atom count
12
Fraction Csp3
0.76
Rotatable bonds
78
H-bond acceptors
27
H-bond donors
2
Molar refractivity
364.21
TPSA
308.23

LogP / Solubility

WLOGP
2.7
MLOGP
2.53
XLogP3
-2
Consensus LogP
1.08
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-13.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.58
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)
-9.55

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

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