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CAS 42330-88-1 2-(3-Chloropropoxy)tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 42330-88-1

2-(3-Chloropropoxy)tetrahydro-2H-pyran

  • Product code: SSC-150668
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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: 25g
  • Available purity: ≥97%
  • 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 42330-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

42330-88-1 / 2-(3-chloropropoxy)oxane

Standard CAS: 42330-88-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42330-88-1
Multi CAS
Yes
Molecular Formula
C8H15CLO2
Molecular Weight
178.650000
Exact Mass
178.076057
InChI
InChI=1S/C8H15ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2
InChIKey
QFXXARKSLAKVRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.88
TPSA
18.46

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.28

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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