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CAS 36603-49-3 2-(4-BROMOPHENOXY)TETRAHYDRO-2H-PYRAN molecular structure lightbox
CAS RN: 36603-49-3

2-(4-BROMOPHENOXY)TETRAHYDRO-2H-PYRAN

  • Product code: SSC-143824
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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: ≥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 36603-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

36603-49-3 / 2-(4-bromophenoxy)oxane

Standard CAS: 36603-49-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36603-49-3
Multi CAS
Yes
Molecular Formula
C11H13BRO2
Molecular Weight
257.120000
Exact Mass
256.009890
InChI
InChI=1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
InChIKey
MXDQGXMBJCGRCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.36
TPSA
18.46

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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