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CAS 1807521-07-8 Ald–Ph-PEG2-NHS molecular structure lightbox
CAS RN: 1807521-07-8

Ald–Ph-PEG2-NHS

  • Product code: SSC-081982
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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
  • 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 1807521-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1807521-07-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]propanoate

Standard CAS: 1807521-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807521-07-8
Multi CAS
No
Molecular Formula
C19H22N2O8
Molecular Weight
406.400000
Exact Mass
406.137616
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C19H22N2O8/c22-13-14-1-3-15(4-2-14)19(26)20-8-10-28-12-11-27-9-7-18(25)29-21-16(23)5-6-17(21)24/h1-4,13H,5-12H2,(H,20,26)
InChIKey
GNTMWHHLUUIRGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
1
Molar refractivity
97.6
TPSA
128.31

LogP / Solubility

WLOGP
0.26
MLOGP
0.25
XLogP3
-0.7
Consensus LogP
-0.06
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-5.01

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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