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CAS 2112731-42-5 Mal-amido-PEG7-acid molecular structure lightbox
CAS RN: 2112731-42-5

Mal-amido-PEG7-acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250118 100mg In stock Shanghai Inquiry
Batchno.20260604 1g In stock Tianjin Inquiry
Batchno.20260522 250mg In stock Shanghai Inquiry
Batchno.20260327 5g Out of stock Inquiry
  • Product code: SSC-100852
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2112731-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry

2112731-42-5 / 3-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2112731-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112731-42-5
Multi CAS
No
Molecular Formula
C24H40N2O12
Molecular Weight
548.600000
Exact Mass
548.258125
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C24H40N2O12/c27-21(3-6-26-22(28)1-2-23(26)29)25-5-8-33-10-12-35-14-16-37-18-20-38-19-17-36-15-13-34-11-9-32-7-4-24(30)31/h1-2H,3-20H2,(H,25,27)(H,30,31)
InChIKey
LHEVLPWUXYBIOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.75
Rotatable bonds
27
H-bond acceptors
11
H-bond donors
2
Molar refractivity
131.47
TPSA
168.39

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.83
XLogP3
-1.7
Consensus LogP
-1.17
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.64
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)
-6.77

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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