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CAS 5631-96-9 2-(2-Chloroethoxy)tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 5631-96-9

2-(2-Chloroethoxy)tetrahydro-2H-pyran

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 1g / 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-164296
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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: 100g
  • Available purity: ≥96%
  • 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 5631-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥96% 0 Out of Stock Beijing Inquiry

5631-96-9 / 2-(2-chloroethoxy)oxane

Standard CAS: 5631-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5631-96-9
Multi CAS
Yes
Molecular Formula
C7H13CLO2
Molecular Weight
164.630000
Exact Mass
164.060407
InChI
InChI=1S/C7H13ClO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
InChIKey
ZVVQFPGYDBUGQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
40.26
TPSA
18.46

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
1.5
Consensus LogP
1.61
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately 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)
-2.47

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
2

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