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CAS 1415800-42-8 Mal-PEG4-PFP molecular structure lightbox
CAS RN: 1415800-42-8

Mal-PEG4-PFP

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-051935
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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: 0.1g, 1g
  • 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 1415800-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

1415800-42-8 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1415800-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415800-42-8
Multi CAS
No
Molecular Formula
C21H22F5NO8
Molecular Weight
511.400000
Exact Mass
511.126557
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C21H22F5NO8/c22-16-17(23)19(25)21(20(26)18(16)24)35-15(30)3-5-31-7-9-33-11-12-34-10-8-32-6-4-27-13(28)1-2-14(27)29/h1-2H,3-12H2
InChIKey
XGSVXFAIAZKWST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
16
H-bond acceptors
8
Molar refractivity
105.62
TPSA
100.6

LogP / Solubility

WLOGP
1.67
MLOGP
1.51
XLogP3
0.8
Consensus LogP
1.33
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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