CAS RN: 1134327-93-7
(5-Bromopyrimidin-2-yl)acetic acid
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.20250319 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013557
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: >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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
1134327-93-7 / 2-(5-bromopyrimidin-2-yl)acetic acid
2-(5-BROMOPYRIMIDIN-2-YL)ACETIC ACID | (5-Bromopyrimidin-2-yl)acetic acid | 2-PYRIMIDINEACETIC ACID, 5-BROMO-
Basic Information
CAS
1134327-93-7
Multi CAS
No
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.020000
Exact Mass
215.953440
SMILES
C1=C(C=NC(=N1)CC(=O)O)Br
InChI
InChI=1S/C6H5BrN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKey
VQTSLZVLSPVCJG-UHFFFAOYSA-N
Synonyms
2-(5-BROMOPYRIMIDIN-2-YL)ACETIC ACID
(5-Bromopyrimidin-2-yl)acetic acid
2-PYRIMIDINEACETIC ACID, 5-BROMO-
MFCD09909705
2-Pyrimidineaceticacid, 5-bromo-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.07
TPSA
63.08
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.4
Consensus LogP
0.68
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.43
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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