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CAS 1835759-68-6 1,1,1-Trifluoroethyl-PEG2-azide molecular structure lightbox
CAS RN: 1835759-68-6

1,1,1-Trifluoroethyl-PEG2-azide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-084914
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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 1835759-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

1835759-68-6 / 2-[2-(2-azidoethoxy)ethoxy]-1,1,1-trifluoroethane

Standard CAS: 1835759-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835759-68-6
Multi CAS
No
Molecular Formula
C6H10F3N3O2
Molecular Weight
213.160000
Exact Mass
213.072511
SMILES
C(COCCOCC(F)(F)F)N=[N+]=[N-]
InChI
InChI=1S/C6H10F3N3O2/c7-6(8,9)5-14-4-3-13-2-1-11-12-10/h1-5H2
InChIKey
HSRLFQUDMWNYCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
41.71
TPSA
67.22

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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