CAS RN: 2055841-00-2
sodium 2-(5-bromopyrimidin-2-yl)acetate
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.20260429 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-096795
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 | Hong Kong | Inquiry |
2055841-00-2 / sodium 2-(5-bromopyrimidin-2-yl)acetate
Basic Information
CAS
2055841-00-2
Multi CAS
No
Molecular Formula
C6H4BrN2NaO2
Molecular Weight
239.000000
Exact Mass
237.935380
SMILES
C1=C(C=NC(=N1)CC(=O)[O-])Br.[Na+]
InChI
InChI=1S/C6H5BrN2O2.Na/c7-4-2-8-5(9-3-4)1-6(10)11;/h2-3H,1H2,(H,10,11);/q;+1/p-1
InChIKey
DEHNCPQTCAVCDJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.44
TPSA
65.91
LogP / Solubility
WLOGP
-3.46
MLOGP
-3.04
XLogP3
-3.46
Consensus LogP
-3.32
Log S (ESOL)
0.62
Class (ESOL)
Highly soluble
Log S (Ali)
0.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.42
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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