CAS RN: 209526-91-0
2-(BroMoMethyl)-5-Methoxypyridine
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.20260125 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS209526-91-0
- Purity/Analytical Methods: >99.0%
209526-91-0 / 2-(bromomethyl)-5-methoxypyridine
Basic Information
CAS
209526-91-0
Multi CAS
No
Molecular Formula
C7H8BrNO
Molecular Weight
202.050000
Exact Mass
200.978930
SMILES
COC1=CN=C(C=C1)CBr
InChI
InChI=1S/C7H8BrNO/c1-10-7-3-2-6(4-8)9-5-7/h2-3,5H,4H2,1H3
InChIKey
BWJMXVLESLHVNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.42
TPSA
22.12
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.54
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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