CAS RN: 89581-38-4
Methyl 5-Bromopyrimidine-2-carboxylate
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-201581
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: >98%
- Inventory rows with stock: 7
- 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 | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 5 In Stock | Beijing | Inquiry |
| 100g | >98% | 5 In Stock | Beijing | Inquiry |
| 500g | >98% | 5 In Stock | Shanghai | Inquiry |
89581-38-4 / methyl 5-bromopyrimidine-2-carboxylate
Basic Information
CAS
89581-38-4
Multi CAS
No
Molecular Formula
BC6H5O2Rn2
Molecular Weight
217.020000
Exact Mass
215.953440
InChI
InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
InChIKey
XILAKTMDKMVJQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.07
TPSA
52.08
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
Consensus LogP
0.64
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
