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CAS 2221949-00-2 Bis-peg13-nhs ester molecular structure lightbox
CAS RN: 2221949-00-2

Bis-peg13-nhs ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-106822
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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, 0.25g, 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 2221949-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2221949-00-2 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2221949-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2221949-00-2
Multi CAS
No
Molecular Formula
C38H64N2O21
Molecular Weight
884.900000
Exact Mass
884.400157
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C38H64N2O21/c41-33-1-2-34(42)39(33)60-37(45)5-7-47-9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-48-8-6-38(46)61-40-35(43)3-4-36(40)44/h1-32H2
InChIKey
OVDFFVRBNAHLOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Fraction Csp3
0.84
Rotatable bonds
44
H-bond acceptors
21
Molar refractivity
204.24
TPSA
247.35

LogP / Solubility

WLOGP
-0.8
MLOGP
-0.62
XLogP3
-3.8
Consensus LogP
-1.74
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.69

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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