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CAS 2182601-73-4 N-Mal-N-bis(PEG2-NHS ester) molecular structure lightbox
CAS RN: 2182601-73-4

N-Mal-N-bis(PEG2-NHS ester)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 1g Out of stock 15 business days Inquiry
  • Product code: SSC-105231
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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 2182601-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2182601-73-4 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl]amino]ethoxy]ethoxy]propanoate

Standard CAS: 2182601-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2182601-73-4
Multi CAS
No
Molecular Formula
C29H38N4O15
Molecular Weight
682.600000
Exact Mass
682.233367
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN(CCOCCOCCC(=O)ON2C(=O)CCC2=O)C(=O)CCN3C(=O)C=CC3=O
InChI
InChI=1S/C29H38N4O15/c34-21(7-10-31-22(35)1-2-23(31)36)30(11-15-45-19-17-43-13-8-28(41)47-32-24(37)3-4-25(32)38)12-16-46-20-18-44-14-9-29(42)48-33-26(39)5-6-27(33)40/h1-2H,3-20H2
InChIKey
JIFSJZLGALHIEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.62
Rotatable bonds
23
H-bond acceptors
15
Molar refractivity
153.92
TPSA
221.97

LogP / Solubility

WLOGP
-1.81
MLOGP
-1.53
XLogP3
-3.8
Consensus LogP
-2.38
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

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)
-8.17

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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