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CAS 1159816-70-2 5-Bromo-2-cyclobutoxypyridine molecular structure lightbox
CAS RN: 1159816-70-2

5-Bromo-2-cyclobutoxypyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1159816-70-2
  • Purity/Analytical Methods: >99.0%
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1159816-70-2 / 5-bromo-2-cyclobutyloxypyridine

5-Bromo-2-cyclobutoxypyridine | Pyridine, 5-bromo-2-(cyclobutyloxy)- | 5-bromo-2-cyclobutyloxypyridine

Standard CAS: 1159816-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159816-70-2
Multi CAS
No
Molecular Formula
C9H10BrNO
Molecular Weight
228.090000
Exact Mass
226.994580
SMILES
C1CC(C1)OC2=NC=C(C=C2)Br
InChI
InChI=1S/C9H10BrNO/c10-7-4-5-9(11-6-7)12-8-2-1-3-8/h4-6,8H,1-3H2
InChIKey
ZNLVTTXXVBKWTR-UHFFFAOYSA-N
Synonyms
5-Bromo-2-cyclobutoxypyridine Pyridine, 5-bromo-2-(cyclobutyloxy)- 5-bromo-2-cyclobutyloxypyridine 5-bromo-2-(cyclobutyloxy)Pyridine MFCD12033453

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.2
TPSA
22.12

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.14

Drug-likeness / Medicinal Chemistry

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

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