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CAS 2112738-60-8 N-Mal-N-bis(PEG4-NHS ester) molecular structure lightbox
CAS RN: 2112738-60-8

N-Mal-N-bis(PEG4-NHS ester)

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 100mg In stock Shanghai Inquiry
Batchno.20260405 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260224 1g Out of stock Inquiry
Batchno.20260310 250mg In stock Shanghai Inquiry
Batchno.20250801 25mg In stock Shanghai Inquiry
Batchno.20251029 50mg In stock Shanghai Inquiry
  • Product code: SSC-100870
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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: 0.25g
  • 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 2112738-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2112738-60-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2112738-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112738-60-8
Multi CAS
No
Molecular Formula
C37H54N4O19
Molecular Weight
858.800000
Exact Mass
858.338226
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCN3C(=O)C=CC3=O
InChI
InChI=1S/C37H54N4O19/c42-29(7-10-39-30(43)1-2-31(39)44)38(11-15-53-19-23-57-27-25-55-21-17-51-13-8-36(49)59-40-32(45)3-4-33(40)46)12-16-54-20-24-58-28-26-56-22-18-52-14-9-37(50)60-41-34(47)5-6-35(41)48/h1-2H,3-28H2
InChIKey
OMOYDOIENLEOQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Fraction Csp3
0.7
Rotatable bonds
35
H-bond acceptors
19
Molar refractivity
197.2
TPSA
258.89

LogP / Solubility

WLOGP
-1.74
MLOGP
-1.45
XLogP3
-4.4
Consensus LogP
-2.53
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8
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)
-9.2

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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