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CAS 494772-07-5 5-Bromo-2-(tetrahydropyran-4-yloxy)pyridine molecular structure lightbox
CAS RN: 494772-07-5

5-Bromo-2-(tetrahydropyran-4-yloxy)pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS494772-07-5
  • Purity/Analytical Methods: >99.0%
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494772-07-5 / 5-bromo-2-(oxan-4-yloxy)pyridine

Standard CAS: 494772-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
494772-07-5
Multi CAS
No
Molecular Formula
BC10H12O2Rn
Molecular Weight
258.110000
Exact Mass
257.005140
InChI
InChI=1S/C10H12BrNO2/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2
InChIKey
ZCTXTBRJCPHMEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.41
TPSA
31.35

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.59

Drug-likeness / Medicinal Chemistry

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

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