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CAS 2112731-43-6 Mal-amido-PEG9-acid molecular structure lightbox
CAS RN: 2112731-43-6

Mal-amido-PEG9-acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100mg In stock Shanghai Inquiry
Batchno.20250517 1g In stock Shanghai Inquiry
Batchno.20250820 250mg In stock Shanghai Inquiry
  • Product code: SSC-100853
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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: 2
  • 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 2112731-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

2112731-43-6 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2112731-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112731-43-6
Multi CAS
No
Molecular Formula
C28H48N2O14
Molecular Weight
636.700000
Exact Mass
636.310554
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C28H48N2O14/c31-25(3-6-30-26(32)1-2-27(30)33)29-5-8-37-10-12-39-14-16-41-18-20-43-22-24-44-23-21-42-19-17-40-15-13-38-11-9-36-7-4-28(34)35/h1-2H,3-24H2,(H,29,31)(H,34,35)
InChIKey
XOHZWIACQTZJNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.79
Rotatable bonds
33
H-bond acceptors
13
H-bond donors
2
Molar refractivity
153.11
TPSA
186.85

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.79
XLogP3
-2
Consensus LogP
-1.25
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.96
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)
-7.28

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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