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CAS 10160-25-5 2-(7-Bromoheptyloxy)tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 10160-25-5

2-(7-Bromoheptyloxy)tetrahydro-2H-pyran

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10160-25-5
  • Purity/Analytical Methods: >99.0%
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10160-25-5 / 2-(7-bromoheptoxy)oxane

2H-Pyran, 2-[(7-bromoheptyl)oxy]tetrahydro- | 2-((7-Bromoheptyl)oxy)tetrahydro-2H-pyran | 2-[(7-Bromoheptyl)oxy]tetrahydro-2H-pyran

Standard CAS: 10160-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10160-25-5
Multi CAS
No
Molecular Formula
C12H23BrO2
Molecular Weight
279.210000
Exact Mass
278.088140
SMILES
C1CCOC(C1)OCCCCCCCBr
InChI
InChI=1S/C12H23BrO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,1-11H2
InChIKey
IJYBSQFJCPBQEG-UHFFFAOYSA-N
Synonyms
2H-Pyran, 2-[(7-bromoheptyl)oxy]tetrahydro- 2-((7-Bromoheptyl)oxy)tetrahydro-2H-pyran 2-[(7-Bromoheptyl)oxy]tetrahydro-2H-pyran DTXSID20339824 1-Bromo-7-(tetrahydro-2-pyranyloxy)heptane

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
66.42
TPSA
18.46

LogP / Solubility

WLOGP
3.88
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

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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