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CAS 1807534-78-6 Mal-PEG3-PFP molecular structure lightbox
CAS RN: 1807534-78-6

Mal-PEG3-PFP

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 100mg In stock Shanghai Inquiry
Batchno.20250423 1g In stock Shanghai Inquiry
Batchno.20260220 250mg In stock Shanghai Inquiry
  • Product code: SSC-081990
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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 1807534-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

1807534-78-6 / (2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1807534-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807534-78-6
Multi CAS
No
Molecular Formula
C19H18F5NO7
Molecular Weight
467.300000
Exact Mass
467.100343
SMILES
C1=CC(=O)N(C1=O)CCOCCOCCOCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C19H18F5NO7/c20-14-15(21)17(23)19(18(24)16(14)22)32-13(28)3-5-29-7-9-31-10-8-30-6-4-25-11(26)1-2-12(25)27/h1-2H,3-10H2
InChIKey
NTHCDRJWHPEQDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
13
H-bond acceptors
7
Molar refractivity
94.8
TPSA
91.37

LogP / Solubility

WLOGP
1.65
MLOGP
1.49
XLogP3
0.9
Consensus LogP
1.35
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

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)
-4.4

Drug-likeness / Medicinal Chemistry

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

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