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CAS 125274-16-0 2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl- molecular structure lightbox
CAS RN: 125274-16-0

2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-029999
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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 125274-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

125274-16-0 / 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol

Standard CAS: 125274-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125274-16-0
Multi CAS
No
Molecular Formula
C27H32O5
Molecular Weight
436.500000
Exact Mass
436.224974
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCOCCOCCOCCO
InChI
InChI=1S/C27H32O5/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,28H,16-23H2
InChIKey
NVNUQXMSFVIKJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
15
H-bond acceptors
5
H-bond donors
1
Molar refractivity
124.7
TPSA
57.15

LogP / Solubility

WLOGP
4.04
MLOGP
3.58
XLogP3
3.6
Consensus LogP
3.74
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52

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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