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CAS 152065-54-8 “2-[2-(2-Bromoethoxy)ethoxy]tetrahydro-2H-pyran2-[2-(2-溴乙氧基)乙氧基]四氢-2H-吡喃” molecular structure lightbox
CAS RN: 152065-54-8

“2-[2-(2-Bromoethoxy)ethoxy]tetrahydro-2H-pyran2-[2-(2-溴乙氧基)乙氧基]四氢-2H-吡喃”

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-061851
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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, 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 152065-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

152065-54-8 / 2-[2-(2-bromoethoxy)ethoxy]oxane

Standard CAS: 152065-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152065-54-8
Multi CAS
No
Molecular Formula
C9H17BrO3
Molecular Weight
253.130000
Exact Mass
252.036110
SMILES
C1CCOC(C1)OCCOCCBr
InChI
InChI=1S/C9H17BrO3/c10-4-6-11-7-8-13-9-3-1-2-5-12-9/h9H,1-8H2
InChIKey
UFIBMWVYNLIJBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
54.16
TPSA
27.69

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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