CAS RN: 129477-21-0
5-BROMO-2-METHYL-NICOTINIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260407 | 1g / 5g / 10g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-036475
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, 500g
- 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 | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
129477-21-0 / ethyl 5-bromo-2-methylpyridine-3-carboxylate
Basic Information
CAS
129477-21-0
Multi CAS
No
Molecular Formula
C9H10BrNO2
Molecular Weight
244.080000
Exact Mass
242.989490
SMILES
CCOC(=O)C1=C(N=CC(=C1)Br)C
InChI
InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-4-7(10)5-11-6(8)2/h4-5H,3H2,1-2H3
InChIKey
QVKPPFGWQMCQCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.63
TPSA
39.19
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-benzyl-2-(chloromethyl)-1,4-oxazepane(SALTDATA: FREE)
- CAS RN: 129482-45-7
- Product Code: SSC-036476
-
3-Pyridinepropanoicacid,4-methyl-(9CI)
- CAS RN: 129483-51-8
- Product Code: starshine_CAS129483-51-8
- Purity/Analytical method: >99.0%
-
-
1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER
- CAS RN: 129487-99-6
- Product Code: starshine_CAS129487-99-6
- Purity/Analytical method: >99.0%
-
6-AMINO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 129488-00-2
- Product Code: SSC-036480
-
