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CAS 52995-76-3 1-(2-CHLORO-ETHOXY)-2-(2-METHOXY-ETHOXY)-ETHANE molecular structure lightbox
CAS RN: 52995-76-3

1-(2-CHLORO-ETHOXY)-2-(2-METHOXY-ETHOXY)-ETHANE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-160152
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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 52995-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

52995-76-3 / 1-[2-(2-chloroethoxy)ethoxy]-2-methoxyethane

Standard CAS: 52995-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52995-76-3
Multi CAS
No
Molecular Formula
C7H15CLO3
Molecular Weight
182.640000
Exact Mass
182.070972
InChI
InChI=1S/C7H15ClO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3
InChIKey
WODLURYTHKQUET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
44.23
TPSA
27.69

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.2
Consensus LogP
0.63
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-3.19

Drug-likeness / Medicinal Chemistry

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

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