CAS RN: 126717-60-0
2-BENZYLOXY-5-BROMO-6-METHYLPYRIDINE
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.20250618 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-033816
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
126717-60-0 / 3-bromo-2-methyl-6-phenylmethoxypyridine
Basic Information
CAS
126717-60-0
Multi CAS
No
Molecular Formula
C13H12BrNO
Molecular Weight
278.140000
Exact Mass
277.010230
SMILES
CC1=C(C=CC(=N1)OCC2=CC=CC=C2)Br
InChI
InChI=1S/C13H12BrNO/c1-10-12(14)7-8-13(15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
RBXCAMWLXQQRPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
67.45
TPSA
22.12
LogP / Solubility
WLOGP
3.73
MLOGP
3.29
XLogP3
4.1
Consensus LogP
3.71
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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)
-1.77
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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