CAS RN: 1215916-40-7
Methyl 5-broMo-2-Methylnicotinate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-024133
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: ＞97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 100g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1215916-40-7 / methyl 5-bromo-2-methylpyridine-3-carboxylate
Basic Information
CAS
1215916-40-7
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
CC1=C(C=C(C=N1)Br)C(=O)OC
InChI
InChI=1S/C8H8BrNO2/c1-5-7(8(11)12-2)3-6(9)4-10-5/h3-4H,1-2H3
InChIKey
UZSAODVBMBLKCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.01
TPSA
39.19
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.75
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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