CAS RN: 1174028-22-8
5-Bromo-6-methyl-nicotinic acid methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 50mg / 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-017265
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1174028-22-8 / methyl 5-bromo-6-methylpyridine-3-carboxylate
Methyl 5-bromo-6-methylnicotinate | 5-Bromo-6-methyl-nicotinic acid methyl ester | methyl 5-bromo-6-methylpyridine-3-carboxylate
Basic Information
CAS
1174028-22-8
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
CC1=C(C=C(C=N1)C(=O)OC)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-7(9)3-6(4-10-5)8(11)12-2/h3-4H,1-2H3
InChIKey
AOSWEDIDPYRZRA-UHFFFAOYSA-N
Synonyms
Methyl 5-bromo-6-methylnicotinate
5-Bromo-6-methyl-nicotinic acid methyl ester
methyl 5-bromo-6-methylpyridine-3-carboxylate
MFCD19440397
3-Pyridinecarboxylic acid, 5-bromo-6-methyl-, methyl ester
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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