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CAS 1807505-33-4 Azido-PEG4-TFP ester molecular structure lightbox
CAS RN: 1807505-33-4

Azido-PEG4-TFP ester

  • Product code: SSC-081962
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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: 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 1807505-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1807505-33-4 / (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1807505-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1807505-33-4
Multi CAS
No
Molecular Formula
C17H21F4N3O6
Molecular Weight
439.400000
Exact Mass
439.136648
SMILES
C1=C(C(=C(C(=C1F)F)OC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])F)F
InChI
InChI=1S/C17H21F4N3O6/c18-12-11-13(19)16(21)17(15(12)20)30-14(25)1-3-26-5-7-28-9-10-29-8-6-27-4-2-23-24-22/h11H,1-10H2
InChIKey
AGVABWOMXXXMSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
93.82
TPSA
111.98

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
2.3
Consensus LogP
2.6
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
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
Yes
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

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

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