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CAS 2378428-27-2 Mal-amido-PEG12-acid molecular structure lightbox
CAS RN: 2378428-27-2

Mal-amido-PEG12-acid

  • Product code: SSC-115780
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 2378428-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

2378428-27-2 / 3-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2378428-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2378428-27-2
Multi CAS
No
Molecular Formula
C34H60N2O17
Molecular Weight
768.800000
Exact Mass
768.389198
SMILES
C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C34H60N2O17/c37-31(3-6-36-32(38)1-2-33(36)39)35-5-8-43-10-12-45-14-16-47-18-20-49-22-24-51-26-28-53-30-29-52-27-25-50-23-21-48-19-17-46-15-13-44-11-9-42-7-4-34(40)41/h1-2H,3-30H2,(H,35,37)(H,40,41)
InChIKey
IKPIYLUYRFENAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.82
Rotatable bonds
42
H-bond acceptors
16
H-bond donors
2
Molar refractivity
185.57
TPSA
214.54

LogP / Solubility

WLOGP
-0.91
MLOGP
-0.73
XLogP3
-2.5
Consensus LogP
-1.38
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.94
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)
-8.05

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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