CAS RN: 1146079-97-1
2-BroMo-6-(1-phenyl-propoxy)-pyridine, 98+% C14H14BrNO, MW: 292.18
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260617 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146079-97-1
- Purity/Analytical Methods: >99.0%
1146079-97-1 / 2-bromo-6-(1-phenylpropoxy)pyridine
2-Bromo-6-(1-phenylpropoxy)pyridine | 2-Bromo-6-(1-phenyl-propoxy)-pyridine | 6-bromo-2-(phenylpropoxy)pyridine
Basic Information
CAS
1146079-97-1
Multi CAS
No
Molecular Formula
C14H14BrNO
Molecular Weight
292.170000
Exact Mass
291.025880
SMILES
CCC(C1=CC=CC=C1)OC2=NC(=CC=C2)Br
InChI
InChI=1S/C14H14BrNO/c1-2-12(11-7-4-3-5-8-11)17-14-10-6-9-13(15)16-14/h3-10,12H,2H2,1H3
InChIKey
ZTQBEAQYPXOBOB-UHFFFAOYSA-N
Synonyms
2-Bromo-6-(1-phenylpropoxy)pyridine
2-Bromo-6-(1-phenyl-propoxy)-pyridine
6-bromo-2-(phenylpropoxy)pyridine
DTXSID00671815
SBB075578
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
72.04
TPSA
22.12
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
4.6
Consensus LogP
4.28
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
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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