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CAS 59146-56-4 2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN molecular structure lightbox
CAS RN: 59146-56-4

2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59146-56-4
  • Purity/Analytical Methods: >99.0%
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59146-56-4 / 2-(2-bromoethoxy)oxane

Standard CAS: 59146-56-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59146-56-4
Multi CAS
Yes
Molecular Formula
C7H13BRO2
Molecular Weight
209.080000
Exact Mass
208.009890
InChI
InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
InChIKey
GCUOLJOTJRUDIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
43.34
TPSA
18.46

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.7
Consensus LogP
1.77
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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