CAS RN: 1204425-37-5
2-Bromo-5-ethoxymethyl-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.20250911 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1204425-37-5
- Purity/Analytical Methods: >99.0%
1204425-37-5 / 2-bromo-5-(ethoxymethyl)pyridine
2-Bromo-5-(ethoxymethyl)pyridine | 2-Bromo-5-ethoxymethyl-pyridine | DTXSID20693756
Basic Information
CAS
1204425-37-5
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CCOCC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H10BrNO/c1-2-11-6-7-3-4-8(9)10-5-7/h3-5H,2,6H2,1H3
InChIKey
ORZKLFQWFCTCFJ-UHFFFAOYSA-N
Synonyms
2-Bromo-5-(ethoxymethyl)pyridine
2-Bromo-5-ethoxymethyl-pyridine
DTXSID20693756
AKOS015940696
DA-17258
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.27
TPSA
22.12
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.35
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
1.5
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