CAS RN: 1627857-11-7
5-Bromo-4-ethoxy-2-((4-methoxybenzyl)oxy)pyridine
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.20250202 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1627857-11-7
- Purity/Analytical Methods: >99.0%
1627857-11-7 / 5-bromo-4-ethoxy-2-[(4-methoxyphenyl)methoxy]pyridine
Basic Information
CAS
1627857-11-7
Multi CAS
No
Molecular Formula
C15H16BrNO3
Molecular Weight
338.200000
Exact Mass
337.031360
SMILES
CCOC1=CC(=NC=C1Br)OCC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16BrNO3/c1-3-19-14-8-15(17-9-13(14)16)20-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKey
XDVITBWJKSORBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
80.43
TPSA
40.58
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
3.7
Consensus LogP
3.64
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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